SCHEMBL552850

SCHEMBL552850

Cc1cc(C(=O)Cl)n(C(C)(C)C)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.55
ALDH1A1 P00352 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 3/20 0.52
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
AURKA O14965 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
LTK P29376 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CDK8 P49336 1/20 0.36
CLK2 P49760 1/20 0.36
CDK5 Q00535 1/20 0.36
ACVR1 Q04771 1/20 0.36

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
SCHEMBL1326795 0.83 ATM (0.56) ATMALDH1A1L3MBTL1GAATDP1
SCHEMBL13807471 0.83 ATM (0.56) ATMALDH1A1L3MBTL1GAATDP1
SCHEMBL14013805 0.81 ALDH1A1 (0.55) ATMALDH1A1L3MBTL1GAATDP1
SCHEMBL15428586 0.81 ATM (0.55) ATMALDH1A1L3MBTL1GAATDP1
SCHEMBL13797533 0.79 ALDH1A1 (0.52) ATMALDH1A1L3MBTL1GAATDP1
SCHEMBL7987940 0.79 GAA (0.57) ATMALDH1A1L3MBTL1GAATDP1
SCHEMBL12293398 0.79 ALDH1A1 (0.52) ATMALDH1A1L3MBTL1GAATDP1
SCHEMBL12084321 0.77 ALDH1A1 (0.51) ATMALDH1A1L3MBTL1GAATDP1
SCHEMBL13439634 0.77 ALDH1A1 (0.62) ATMALDH1A1L3MBTL1GAATDP1
SCHEMBL12988397 0.75 GAA (0.49) ATMALDH1A1L3MBTL1GAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999969-B2 Anti-RSV compounds GILEAD SCIENCES, INC. (US) 2015-04-07 US disclosed
EP-2440542-B1 Substituted benzimidazoles, benzonthiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2013-12-18 EP disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
EP-2530078-A1 THIAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2012-12-05 EP disclosed
US-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-20070032474-A1 Use of a compound of formula 1 for making a pharmaceutical composition BIONDI RICARDO M 2007-02-08 US disclosed
US-20070032474-A1 Use of a compound of formula 1 for making a pharmaceutical composition BIONDI RICARDO M 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 WO disclosed
WO-2005123696-A1 SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2005-12-29 WO disclosed
US-20050267122-A1 Ansamycins having improved pharmacological and biological properties Zhang, Lin 2005-12-01 US disclosed
EP-1472230-A4 ANSAMYCINS HAVING IMPROVED PHARMACOLOGICAL AND BIOLOGICAL PROPERTIES CONFORMA THERAPEUTIC CORP (US) 2005-07-06 EP disclosed
EP-1472230-A2 ANSAMYCINS HAVING IMPROVED PHARMACOLOGICAL AND BIOLOGICAL PROPERTIES Conforma Therapeutic Corporation (US) 2004-11-03 EP disclosed
WO-2003066005-A2 ANSAMYCINS HAVING IMPROVED PHARMACOLOGICAL AND BIOLOGICAL PROPERTIES CONFORMA THERAPEUTICS CORPORATION (US) 2003-08-14 WO disclosed
US-6166041-A 2-heteroaryl and 2-heterocyclic benzoxazoles as PDE IV inhibitors for the treatment of asthma EURO-CELTIQUE, S.A. (LU) 2000-12-26 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 (3 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-20050267122-A1 Ansamycins having improved pharmacological and biological properties NARS1, AAAS, ASNS ATM 1621/4885ALDH1A1 1372/4885L3MBTL1 2531/4885
US-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN ATM 1414/4885ALDH1A1 2086/4885L3MBTL1 3172/4885
US-20070032474-A1 Use of a compound of formula 1 for making a pharmaceutical composition CYP7A1, UGT1A1, CYP2F1 ATM 4504/4885ALDH1A1 319/4885L3MBTL1 4719/4885

“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.