SCHEMBL7113308

SCHEMBL7113308

Fc1ccc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 9/20 0.67
CYP1A2 P05177 7/20 0.67
CYP1A1 P04798 7/20 0.67
AGER Q15109 2/20 0.65
ALOX5 P09917 1/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
MAOA P21397 4/20 0.53
MAOB P27338 4/20 0.53
MAPT P10636 1/20 0.50
AMY1A P0DUB6 1/20 0.49
VCP P55072 1/20 0.48

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
SCHEMBL19851004 0.86 AGER (0.70) CYP1B1CYP1A2CYP1A1AGERALOX5
SCHEMBL205146 0.85 AGER (0.65) CYP1B1CYP1A2CYP1A1AGERALOX5
SCHEMBL29276772 0.84 AGER (0.75) CYP1B1CYP1A2CYP1A1AGERALOX5
SCHEMBL7115739 0.82 ALOX5 (0.81) CYP1B1CYP1A2CYP1A1ALOX5NPC1
SCHEMBL19851003 0.81 CTRB1 (0.64) AGERNPC1RAB9AMEN1KMT2A
SCHEMBL14531586 0.80 MAOA (0.60) AGERNPC1RAB9AMEN1KMT2A
SCHEMBL7150949 0.80 AGER (0.69) CYP1B1CYP1A2CYP1A1AGERALOX5
SCHEMBL208205 0.80 AGER (0.59) CYP1B1CYP1A2CYP1A1AGERALOX5
SCHEMBL28908960 0.80 AGER (0.62) AGERALOX5NPC1RAB9AMEN1
SCHEMBL205404 0.79 VCP (0.65) CYP1B1CYP1A2CYP1A1AGERALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220380-A1 Substituted thiazoles and the use thereof as inhibitors of plasminogen activator inhibitor-1 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-11-27 US claimed
US-6586453-B2 Useful in prophylaxis or treatment of thrombosis, angina, pectoris, cerebral infarction, myocardial/pulmonary infarction, intra-atrial thrombus in atrial fibrillation, diabetic complications, restenosis, and stroke 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-07-01 US claimed
US-20010044545-A1 Substituted thiazoles and the use thereof as inhibitors of plasminogen activator inhibitor-1 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-11-22 US claimed
US-20030220380-A1 Substituted thiazoles and the use thereof as inhibitors of plasminogen activator inhibitor-1 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-11-27 US disclosed
US-6586453-B2 Useful in prophylaxis or treatment of thrombosis, angina, pectoris, cerebral infarction, myocardial/pulmonary infarction, intra-atrial thrombus in atrial fibrillation, diabetic complications, restenosis, and stroke 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-07-01 US disclosed
US-20010044545-A1 Substituted thiazoles and the use thereof as inhibitors of plasminogen activator inhibitor-1 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-11-22 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 (2 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-20010044545-A1 Substituted thiazoles and the use thereof as inhibitors of plasminogen activator inhibitor-1 SERPINE1, SERPINC1, SERPINB1 CYP1B1 1202/4885CYP1A2 1458/4885CYP1A1 669/4885
US-20030220380-A1 Substituted thiazoles and the use thereof as inhibitors of plasminogen activator inhibitor-1 SERPINE1, SERPINC1, SERPINB1 CYP1B1 1202/4885CYP1A2 1458/4885CYP1A1 669/4885

“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.