SCHEMBL540823

SCHEMBL540823

Cc1nc(C)c(C(=O)Cl)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
TSHR P16473 4/20 0.45
LMNA P02545 4/20 0.45
HSD17B10 Q99714 8/20 0.44
HPGD P15428 3/20 0.44
HTT P42858 3/20 0.43
MAPT P10636 6/20 0.41
POLB P06746 5/20 0.41
USP2 O75604 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
ALOX15 P16050 1/20 0.38
MCL1 Q07820 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL286999 0.81 HSD17B10 (0.47) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL27432878 0.81 HSD17B10 (0.47) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL210291 0.79 HSD17B10 (0.50) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
Hydrochloric Acid SCHEMBL10496189 0.79 HSD17B10 (0.46) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL114334 0.77 MAPT (0.44) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL31016330 0.75 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL8829451 0.74 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL8615319 0.74 HSD17B10 (0.43) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL19770791 0.74 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL8613502 0.74 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1052774-A None JP disclosed
US-20210369716-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-12-02 US disclosed
US-11123348-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2021-09-21 US disclosed
US-20200179391-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2020-06-11 US disclosed
US-10596175-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2020-03-24 US disclosed
US-20190000852-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2019-01-03 US disclosed
US-20170333437-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-11-23 US disclosed
US-20170333437-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-11-23 US disclosed
US-9700559-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-07-11 US disclosed
US-9700559-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-07-11 US disclosed
US-8383644-B2 Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-02-26 US disclosed
EP-2413693-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TransTech Pharma, Inc (US) 2012-02-08 EP disclosed
US-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HIGH POINT PHARMACEUTICALS, LLC (US) 2011-06-30 US disclosed
WO-2010114824-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TRANSTECH PHARMA INC (US) 2010-10-07 WO disclosed
US-5731335-A NERVOUS SYSTEM DISORDERS; STROKE; ANTIISCHEMIC AGENTS; COGNITION ACTIVATORS ASTRA AKTIEBOLAG (SE) 1998-03-24 US disclosed
US-5607956-A TREATMENT OF NEURODEGENERATIVE DISORDERS SUCH AS CEREBRAL ISCHEMIA, ALZHEIMER'S DISEASE ASTRA AKTIEBOLAG (SE) 1997-03-04 US disclosed
CN-1126994-A Novel (1-heteroazolyl-1-heterocyclyl) alkane derivatives and their use as neuroprotective agents ASTRA AB (SE) 1996-07-17 CN disclosed
EP-0707584-A1 NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS Astra Aktiebolag (SE) 1996-04-24 EP disclosed
WO-1995001979-A1 NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS ASTRA AKTIEBOLAG (SE) 1995-01-19 WO disclosed
JP-S6452774-A AMIDE DERIVATIVE, PRODUCTION THEREOF AND PLANT DISEASE CONTROLLING AGENT CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT SUMITOMO CHEMICAL CO 1989-02-28 JP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF GLP1R, GIPR, GPR119 ALDH1A1 1899/4885SMN1; SMN2 3375/4885TSHR 361/4885
US-20190000852-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT ALDH1A1 866/4885SMN1; SMN2 705/4885TSHR 2780/4885
US-11123348-B2 Compounds and compositions for the treatment of parasitic diseases TYR, TBCA, MAPT ALDH1A1 866/4885SMN1; SMN2 705/4885TSHR 2780/4885
US-10596175-B2 Compounds and compositions for the treatment of parasitic diseases TYR, TBCA, MAPT ALDH1A1 866/4885SMN1; SMN2 705/4885TSHR 2780/4885
US-20210369716-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT ALDH1A1 866/4885SMN1; SMN2 705/4885TSHR 2780/4885
US-20170333437-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT ALDH1A1 866/4885SMN1; SMN2 705/4885TSHR 2780/4885
US-20200179391-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT ALDH1A1 866/4885SMN1; SMN2 705/4885TSHR 2780/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.