SCHEMBL2458950

SCHEMBL2458950

O=C(NC1Cc2ccsc2C1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA14 Q9ULX7 1/20 0.53
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
HDAC8 Q9BY41 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CHRNA7 P36544 2/20 0.45
MMP2 P08253 1/20 0.43
GRM7 Q14831 1/20 0.43
EPHX1 P07099 1/20 0.43
PRMT5 O14744 3/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTR3A P46098 1/20 0.41

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
SCHEMBL2459916 0.86 NPC1 (0.54) RAB9ANPC1KMT2AMEN1GRM7
SCHEMBL2458262 0.81 RAB9A (0.57) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL2458764 0.78 HDAC1 (0.48) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL2460515 0.76 P2RX7 (0.62) RAB9ANPC1KMT2AMEN1TSHR
SCHEMBL2456219 0.75 SMYD3 (0.61) RAB9ANPC1KMT2A
SCHEMBL2456714 0.75 GPR183 (0.46) RAB9A
SCHEMBL28975690 0.74 MEN1 (0.64) RAB9ANPC1KMT2AMEN1CHRNA7
SCHEMBL2454974 0.73 NPC1 (0.43) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL2454980 0.73 EGFR (0.42) RAB9ANPC1LMNA
SCHEMBL2460465 0.72 SCN5A (0.40) TSHRALDH1A1

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 8 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
CN-100337626-C Acylated, heteroaryl-condensed cycloalkenylamines and their use as pharmaceuticals AVENTIS PHARMA GMBH (DE) 2007-09-19 CN disclosed
US-7105513-B2 Cardiovascular disorders; strokes; hypotensive agents SANOFI-AVERTIS DEUTSCHLAND GMBH (DE) 2006-09-12 US disclosed
CN-1674895-A Acylated, heteroaryl-fused cycloalkenylamines and their use as pharmaceuticals AVENTIS PHARMA GMBH (DE) 2005-09-28 CN 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
EP-1388342-A1 Acylated, heteroaryl-condensed cycloalkenylamines and their use as pharmaceuticals Aventis Pharma Deutschland GmbH (DE) 2004-02-11 EP 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 CA12 2911/4885CA1 4233/4885CA2 1700/4885

“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.