SCHEMBL4407149

SCHEMBL4407149

CCn1nnnc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
PGR P06401 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
MCOLN2 Q8IZK6 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 2/20 0.31
SLC9A1 P19634 1/20 0.31
SOS1 Q07889 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4405271 0.83 CYP1A2 (0.42) ALDH1A1POLBKMT2ALMNAMAPK1
SCHEMBL25008007 0.83 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2POLBGAAKMT2A
SCHEMBL25447327 0.83 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2POLBGAAKMT2A
SCHEMBL24665884 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBKMT2ALMNA
SCHEMBL20711369 0.79 ALDH1A1 (0.32) ALDH1A1KMT2ALMNASLC6A2SLC6A4
SCHEMBL4407954 0.78 SLC9A1 (0.40) KMT2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL24142447 0.77 MAPK1 (0.36) ALDH1A1SMN1; SMN2POLBGAAKMT2A
SCHEMBL20711359 0.77 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2POLBGAAKMT2A
SCHEMBL4408634 0.77 SLC9A1 (0.41) KMT2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL2449169 0.75 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2KMT2ALMNASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820751-B2 Urolithin derivatives and methods of use thereof VANDRIA SA (CH) 2023-11-21 US disclosed
US-20230145481-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS DICE ALPHA, INC. 2023-05-11 US disclosed
US-20230145481-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS DICE ALPHA, INC. 2023-05-11 US disclosed
US-20230141212-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS DICE ALPHA, INC. 2023-05-11 US disclosed
US-11274094-B2 Substituted benzenecarboxamides as IL-17A modulators DICE ALPHA, INC. (US) 2022-03-15 US disclosed
US-20210101886-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. 2021-04-08 US disclosed
WO-2021055376-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2021-03-25 WO disclosed
US-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. 2021-03-25 US disclosed
US-10874686-B2 Anthranilyl-adenosinemonosulfamate analogs and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-12-29 US disclosed
US-10280139-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-05-07 US disclosed
US-8101567-B2 Heteroaryl-containing tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-7718769-B2 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-7700774-B2 Heterocyclic compounds and their pharmaceutical compositions DR. REDDY'S LABORATORIES LTD. (IN) 2010-04-20 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS MIAO ZHENWEI 2009-12-10 US disclosed
US-7601709-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-13 US disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed
US-7273851-B2 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-20070161575-A1 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-07-12 US 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 (11 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-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF ATF1, MAP3K1, ROCK1 ALDH1A1 776/4885SMN1; SMN2 3319/4885POLB 3622/4885
US-10874686-B2 Anthranilyl-adenosinemonosulfamate analogs and uses thereof ATIC, SLC35B2, ADORA1 ALDH1A1 625/4885SMN1; SMN2 3583/4885POLB 563/4885
US-20230145481-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS IL17A, IL2, IL23R ALDH1A1 372/4885SMN1; SMN2 4795/4885POLB 1703/4885
US-11274094-B2 Substituted benzenecarboxamides as IL-17A modulators IL17A, IL23R, IL18 ALDH1A1 753/4885SMN1; SMN2 4800/4885POLB 2095/4885
US-20230141212-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS IL17A, IL2, IL23R ALDH1A1 372/4885SMN1; SMN2 4795/4885POLB 1703/4885
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS PRSS1, CTSC, SPINT2 ALDH1A1 1657/4885SMN1; SMN2 3708/4885POLB 4052/4885
US-20210101886-A1 IL-17A MODULATORS AND USES THEREOF IL17A, IL2, IL36G ALDH1A1 1072/4885SMN1; SMN2 4819/4885POLB 2173/4885
US-11820751-B2 Urolithin derivatives and methods of use thereof NLN, UQCRC2, TUFM ALDH1A1 851/4885SMN1; SMN2 179/4885POLB 693/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 ALDH1A1 1430/4885SMN1; SMN2 3065/4885POLB 3737/4885
US-20070161575-A1 Tri-peptide hepatitis C serine protease inhibitors PRSS1, VIP, HPN ALDH1A1 2189/4885SMN1; SMN2 3782/4885POLB 3382/4885
US-10280139-B2 Cytotoxic peptides and conjugates thereof CD47, MKI67, NGLY1 ALDH1A1 3229/4885SMN1; SMN2 1974/4885POLB 3046/4885

“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.