SCHEMBL496981

SCHEMBL496981

Cc1nc(Cl)c2cc(C(=O)O)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
ALDH1A1 P00352 6/20 0.50
HPGD P15428 5/20 0.50
POLB P06746 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HSP90AA1 P07900 1/20 0.47
ESR2 Q92731 1/20 0.47
KDM4E B2RXH2 5/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
CDH1 P12830 1/20 0.45
APC P25054 1/20 0.45
CTNNB1 P35222 1/20 0.45
TCF7L2 Q9NQB0 1/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
IP6K1 Q92551 5/20 0.44

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
SCHEMBL13754215 0.89 ALDH1A1 (0.48) TDP1ALDH1A1HPGDPOLBL3MBTL1
SCHEMBL11145815 0.83 CDH1 (0.47) TDP1ALDH1A1HPGDPOLBL3MBTL1
Hydrochloric Acid SCHEMBL11214921 0.81 CDH1 (0.46) TDP1ALDH1A1HPGDPOLBL3MBTL1
SCHEMBL4417128 0.77 KDM4E (0.49) ALDH1A1HPGDPOLBL3MBTL1KDM4E
SCHEMBL14843585 0.77 LMNA (0.56) ALDH1A1L3MBTL1KDM4EMAPTMEN1
SCHEMBL10643646 0.77 TDP1 (0.67) TDP1ALDH1A1HPGDPOLBL3MBTL1
SCHEMBL30251661 0.77 LMNA (0.62) TDP1ALDH1A1HPGDPOLBL3MBTL1
SCHEMBL2884817 0.77 LMNA (0.62) TDP1ALDH1A1HPGDPOLBL3MBTL1
Hydrochloric Acid SCHEMBL18109900 0.75 LMNA (0.60) TDP1ALDH1A1HPGDPOLBL3MBTL1
Hydrochloric Acid SCHEMBL8591571 0.75 TDP1 (0.65) TDP1ALDH1A1HPGDPOLBL3MBTL1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106214-B2 2-imino-4-(thio) oxo-5-polycyclovinylazolines for use as PI3 kinase inhibitors MERCK SERONO SA (CH) 2012-01-31 US disclosed
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
EP-1648452-B1 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS MERCK SERONO SA (CH) 2009-07-22 EP disclosed
US-20070021447-A1 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-01-25 US disclosed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US disclosed
EP-1648452-A1 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2006-04-26 EP disclosed
US-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 US disclosed
EP-1549644-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-07-06 EP disclosed
EP-1531813-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY Applied Research Systems ARS Holding N.V. (AN) 2005-05-25 EP disclosed
WO-2005011686-A1 2-IMINO-4-(THIO) OXO-5-POLY CYCLOVINYLAZOLINES FOR USE AS P13 KINASE IHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 WO disclosed
WO-2004007491-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-01-22 WO disclosed
WO-2004006916-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2004-01-22 WO 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 (4 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-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES ZAP70, BRCA1, ZYX TDP1 1837/4885ALDH1A1 716/4885HPGD 2011/4885
US-20070021447-A1 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors PI4K2B, PI4KA, PTK2B TDP1 1274/4885ALDH1A1 1794/4885HPGD 1525/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 TDP1 623/4885ALDH1A1 1935/4885HPGD 3176/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B TDP1 1744/4885ALDH1A1 678/4885HPGD 2135/4885

“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.