SCHEMBL4806791

SCHEMBL4806791

O=C(Cc1cccs1)Nc1nc2c(s1)CCCC2C(=O)NCCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
NPC1 O15118 5/20 0.50
LMNA P02545 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
PTBP1 P26599 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
KDM4E B2RXH2 1/20 0.46
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
MAPT P10636 4/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL4798579 0.89 ALDH1A1 (0.53) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL3164206 0.87 ALDH1A1 (0.48) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL3166107 0.79 SMN1; SMN2 (0.65) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL3167129 0.75 ALDH1A1 (0.55) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL3162473 0.74 SMN1; SMN2 (0.51) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL3172650 0.72 ALDH1A1 (0.50) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL3166114 0.72 SMN1; SMN2 (0.61) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL4802788 0.68 TMIGD3 (0.40) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL4804705 0.68 CYP1A2 (0.46) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL14825170 0.68 ALDH1A1 (1.00) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 963/4885RAB9A 3147/4885SMN1; SMN2 1583/4885

“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.