SCHEMBL4798462

SCHEMBL4798462

O=C(Nc1nc2c(s1)CCCC2C(=O)N1CCN(c2ccccn2)CC1)c1ccoc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC27A1 Q6PCB7 1/20 0.47
KDM4E B2RXH2 8/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 11/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 7/20 0.39
GCK P35557 1/20 0.38
POLB P06746 2/20 0.38
TMIGD3 P0DMS9 1/20 0.38
ADORA1 P30542 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 3/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL4802391 0.79 CA2 (0.39) TMIGD3ADORA1LMNA
SCHEMBL3163995 0.78 KDM4E (0.50) SLC27A1KDM4EHTTALDH1A1KMT2A
SCHEMBL3169724 0.78 TMIGD3 (0.49) KDM4EHTTALDH1A1KMT2AHPGD
SCHEMBL3163988 0.77 KDM4E (0.48) SLC27A1KDM4EHTTALDH1A1KMT2A
SCHEMBL4801558 0.74 NPC1 (0.50) SLC27A1KDM4EHTTALDH1A1KMT2A
SCHEMBL4801430 0.73 RAB9A (0.49) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL4804431 0.72 NPC1 (0.46) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL4802788 0.72 TMIGD3 (0.40) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL3166488 0.72 MAPT (0.51) KDM4EHTTALDH1A1KMT2AHPGD
SCHEMBL4797943 0.71 ALDH1A1 (0.46) KDM4EHTTALDH1A1KMT2AHPGD

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 SLC27A1 3148/4885KDM4E 1046/4885HTT 239/4885

“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.