SCHEMBL6181850

SCHEMBL6181850

O=S(=O)(Cl)c1ccc2cccc(Cl)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.47
CYP2A6 P11509 3/20 0.47
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPN11 Q06124 1/20 0.38
LMNA P02545 1/20 0.36
NQO2 P16083 3/20 0.35
MTNR1A P48039 3/20 0.35
MTNR1B P49286 2/20 0.35
ADRA2A P08913 1/20 0.35
KAT6A Q92794 1/20 0.35
PAX8 Q06710 1/20 0.35

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
SCHEMBL31387942 1.00 CYP1A2 (0.47) CYP1A2CYP2A6CYP3A4CYP2D6CYP2C9
SCHEMBL1705568 0.85 CYP1A2 (0.54) CYP1A2CYP2A6CYP3A4CYP2D6CYP2C9
SCHEMBL14058906 0.84 LMNA (0.56) CYP1A2CYP2A6MEN1KMT2ALMNA
SCHEMBL9244404 0.84 PTPN11 (0.52) CYP1A2CYP2A6CYP3A4CYP2D6CYP2C9
SCHEMBL11136985 0.81 HTR6 (0.41) ALDH1A1MEN1KMT2AHSD17B10TDP1
SCHEMBL23909540 0.76 CA1 (0.45) ALDH1A1HSD17B10TDP1NQO2MTNR1A
SCHEMBL23909572 0.76 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ATDP1CA12
SCHEMBL11664505 0.76 HPRT1 (0.54) CYP1A2CYP2A6CYP3A4CYP2C9CYP2C19
SCHEMBL17437131 0.75 CCNC (0.39) ALDH1A1HSD17B10TDP1
SCHEMBL11048962 0.74 TRPV4 (0.36) CYP3A4CYP2C9CYP2C19ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0844877-B1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ASTRAZENECA AB (SE) 2005-01-26 EP disclosed
US-6730672-B2 PROTEASE INHIBITOR ZENECA LIMITED (GB) 2004-05-04 US disclosed
US-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED 2002-08-29 US disclosed
US-6225309-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2001-05-01 US disclosed
US-6090813-A Use of oxido-squalene cyclase inhibitors to lower blood cholesterol ZENECA LIMITED (GB) 2000-07-18 US disclosed
US-5965559-A STRONG INHIBITORY EFFECT AGAINST THE ACTIVATED COAGULATION PROTEASE KNOWN AS FACTOR XA; PREVENTION OF THE CLEAVAGE OF PROTHROMBIN TO THROMBIN; AMINO-SUBSTITUTED PYRIMIDINES AMIDINE GROUP-FREE ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0783500-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LTD (GB) 1998-07-22 EP disclosed
EP-0844877-A1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ZENECA LIMITED (GB) 1998-06-03 EP disclosed
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1997006802-A1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ZENECA LIMITED (GB) 1997-02-27 WO disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 WO disclosed
US-4069254-A INHIBITORS OF BLOOD PLATELET AGGREGATION BANYU PHARMACEUTICAL CO., LTD. (JA) 1978-01-17 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 (1 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-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents SERPINC1, F2, SULT1E1 CYP1A2 140/4885CYP2A6 600/4885CYP3A4 331/4885

“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.