SCHEMBL2458764

SCHEMBL2458764

Cc1ccc(C(=O)NC2Cc3ccsc3C2)cn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NPC1 O15118 2/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.41
GABRA1 P14867 4/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
GRM5 P41594 3/20 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
Trifluoroacetic Acid SCHEMBL27607866 0.92 KMT2A (0.43) HDAC1HDAC6NPC1LMNARAB9A
SCHEMBL2456714 0.84 GPR183 (0.46) RAB9AGABRA1
SCHEMBL2460465 0.82 SCN5A (0.40) ALDH1A1GRM5
SCHEMBL5427032 0.78 HDAC1 (0.62) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL2456362 0.78 USP30 (0.60) NPC1LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL2459916 0.78 NPC1 (0.54) NPC1RAB9AKDM4EKMT2AALDH1A1
SCHEMBL2458950 0.78 CA12 (0.53) NPC1LMNARAB9AKDM4EKMT2A
SCHEMBL2459809 0.78 RAB9A (0.40) NPC1LMNARAB9AKMT2AALDH1A1
SCHEMBL3394258 0.78 MTNR1A (0.60) HDAC1HDAC6KDM4EGRM5
SCHEMBL3394439 0.78 MTNR1A (0.60) HDAC1HDAC6KDM4EGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534277-B1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2011-09-14 EP disclosed
EP-1534277-B1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2011-09-14 EP disclosed
US-7105513-B2 Cardiovascular disorders; strokes; hypotensive agents SANOFI-AVERTIS DEUTSCHLAND GMBH (DE) 2006-09-12 US disclosed
EP-1534277-A1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS Aventis Pharma Deutschland GmbH (DE) 2005-06-01 EP disclosed
US-20040092513-A1 Acylated, heteroaryl-condensed cycloalkenylamines and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-13 US disclosed
WO-2004014372-A1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-19 WO 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-20040092513-A1 Acylated, heteroaryl-condensed cycloalkenylamines and their use as pharmaceuticals LIPG, AADAC, AANAT HDAC1 35/4885HDAC6 29/4885NPC1 646/4885

“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.