SCHEMBL7115032

SCHEMBL7115032

O=[N+]([O-])c1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.68
▸ MAPT P10636 8/20 0.62
▸ NPSR1 Q6W5P4 2/20 0.62
▸ POLB P06746 1/20 0.61
▸ RAB9A P51151 4/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ CSNK2A1 P68400 2/20 0.55
▸ VCP P55072 1/20 0.55
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ NPY5R Q15761 1/20 0.54
▸ GAA P10253 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 3/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL31126444 1.00 ALOX5 (0.68) ALOX5MAPTNPSR1POLBRAB9A
SCHEMBL13613546 0.89 ALOX5 (0.69) ALOX5MAPTNPSR1POLBRAB9A
SCHEMBL20379531 0.86 MAPT (0.66) ALOX5MAPTPOLBRAB9ANPC1
SCHEMBL23539933 0.86 CSNK2A1 (0.76) ALOX5MAPTNPSR1POLBRAB9A
SCHEMBL7268473 0.86 MAPT (0.72) ALOX5MAPTNPSR1POLBRAB9A
SCHEMBL1890250 0.86 MAPT (0.64) MAPTNPSR1POLBRAB9ANPC1
SCHEMBL31126428 0.82 ALOX5 (0.78) ALOX5MAPTNPSR1POLBRAB9A
SCHEMBL1888054 0.82 ALOX5 (0.78) ALOX5MAPTNPSR1POLBRAB9A
SCHEMBL21479749 0.81 MAPT (0.58) MAPTNPSR1POLBRAB9ANPC1
SCHEMBL23610351 0.81 ALOX5 (0.76) ALOX5MAPTNPSR1POLBRAB9A

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 ALOX5 2040/4885MAPT 2307/4885NPSR1 1378/4885
US-20030220380-A1 Substituted thiazoles and the use thereof as inhibitors of plasminogen activator inhibitor-1 SERPINE1, SERPINC1, SERPINB1 ALOX5 2040/4885MAPT 2307/4885NPSR1 1378/4885

“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.

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