SCHEMBL4805657

SCHEMBL4805657

CCOc1ccccc1CN1CCC(N(C)C(=O)C2CCCc3sc(NC(=O)Cc4cccs4)nc32)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
LMNA P02545 4/20 0.43
HSD17B10 Q99714 3/20 0.43
TP53 P04637 3/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NFKB1 P19838 1/20 0.43
PTBP1 P26599 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
POLB P06746 2/20 0.41
CASP6 P55212 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 4/20 0.40

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
SCHEMBL4802914 0.87 KMT2A (0.38) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL4796832 0.87 RAB9A (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL4804670 0.85 NPC1 (0.46) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL4801846 0.78 DRD2 (0.43) SMN1; SMN2MEN1KMT2ALMNAL3MBTL1
SCHEMBL4804499 0.78 CCR5 (0.36) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL3163123 0.78 NPC1 (0.44) ALDH1A1NPC1RAB9AKDM4EKMT2A
SCHEMBL4805240 0.76 HDAC1 (0.42) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL4805873 0.74 CHRM4 (0.42) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL3166107 0.73 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL4802804 0.72 KDM4E (0.39) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E

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 SMN1; SMN2 1583/4885ALDH1A1 963/4885NPC1 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.