SCHEMBL4802777

SCHEMBL4802777

O=C(Nc1nc2c(s1)CCCC2C(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.43
F10 P00742 2/20 0.43
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ROCK2 O75116 5/20 0.41
NPY5R Q15761 1/20 0.40
RORC P51449 2/20 0.38
DHODH Q02127 2/20 0.38
GAA P10253 3/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL4804431 0.87 NPC1 (0.46) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4805581 0.85 RORC (0.45) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4801764 0.81 HRH3 (0.45) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3157431 0.80 NPC1 (0.48) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4804705 0.79 CYP1A2 (0.46) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3164002 0.75 SMN1; SMN2 (0.39) F2F10KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4802391 0.74 CA2 (0.39) RORCDHODHGAA
SCHEMBL3163886 0.73 ALDH1A1 (0.37) F2F10KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4804222 0.73 OPRM1 (0.43) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3157344 0.73 ADORA1 (0.47) KMT2ASMN1; SMN2TP53RORCDHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 US claimed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 US claimed
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 US disclosed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 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-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds TPH2, HTR6, TPH1 F2 3106/4885F10 4094/4885NPC1 2506/4885

“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.