SCHEMBL12796193

SCHEMBL12796193

O=C(Nc1nc2c(s1)-c1cccc(-c3nccs3)c1CCC2)c1c(F)cccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ TP53 P04637 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ USP2 O75604 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ NFKB1 P19838 1/20 0.37

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
SCHEMBL14222999 0.89 HCRTR1 (0.35) ALDH1A1RAB9ATP53SMN1; SMN2NPC1
SCHEMBL14223148 0.86 CFTR (0.38) ALDH1A1RAB9ATP53SMN1; SMN2NPC1
SCHEMBL12796187 0.85 GAA (0.44) ALDH1A1RAB9ATP53SMN1; SMN2NPC1
SCHEMBL12796201 0.84 ALDH1A1 (0.39) ALDH1A1RAB9ATP53SMN1; SMN2NPC1
SCHEMBL12796210 0.84 ALDH1A1 (0.39) ALDH1A1RAB9ATP53SMN1; SMN2NPC1
SCHEMBL14172578 0.83 ALDH1A1 (0.47) ALDH1A1RAB9ATP53SMN1; SMN2NPC1
SCHEMBL14172571 0.82 ALDH1A1 (0.46) ALDH1A1RAB9ATP53SMN1; SMN2NPC1
SCHEMBL14172592 0.82 TP53 (0.52) ALDH1A1RAB9ATP53SMN1; SMN2NPC1
SCHEMBL14172573 0.82 MAPT (0.49) ALDH1A1RAB9ATP53SMN1; SMN2NPC1
SCHEMBL14172583 0.81 MAPT (0.47) ALDH1A1RAB9ATP53SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779154-B2 Fused ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2014-07-15 — — US disclosed
US-8779154-B2 Fused ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2014-07-15 — — US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — US disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 — — WO disclosed
US-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-06-05 — — US disclosed
US-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-06-05 — — 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-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NOD2, RORC, NLRP3 ALDH1A1 2365/4885RAB9A 1338/4885TP53 404/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 ALDH1A1 644/4885RAB9A 1908/4885TP53 862/4885

“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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