SCHEMBL14149490

SCHEMBL14149490

Cc1ccc2ccc(OCCN3CCOCC3)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ACHE P22303 1/20 0.57
PRKDC P78527 1/20 0.53
MAPK1 P28482 2/20 0.52
CYP1A2 P05177 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
HTR2A P28223 1/20 0.52
SCN1A P35498 1/20 0.52
HTR2B P41595 1/20 0.52
KCNH2 Q12809 1/20 0.52
SCN2A Q99250 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
SCN3A Q9NY46 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL14570561 0.97 NPC1 (0.65) NPC1MEN1KMT2AALDH1A1KDM4E
SCHEMBL15704190 0.93 HRH3 (0.62) NPC1MEN1KMT2AALDH1A1KDM4E
SCHEMBL21740015 0.89 ALDH1A1 (0.62) NPC1ALDH1A1KDM4EMAPK1CYP1A2
SCHEMBL4420934 0.86 NPC1 (0.65) NPC1MEN1KMT2AALDH1A1KDM4E
SCHEMBL15701621 0.84 MEN1 (0.62) NPC1MEN1KMT2AALDH1A1KDM4E
SCHEMBL82383 0.84 ALDH1A1 (0.67) NPC1ALDH1A1KDM4EMAPK1CYP1A2
SCHEMBL259183 0.82 KDM4E (0.63) NPC1MEN1KMT2AALDH1A1KDM4E
SCHEMBL5442329 0.81 TSHR (0.66) NPC1MEN1KMT2AALDH1A1KDM4E
SCHEMBL5443488 0.81 ALDH1A1 (0.62) NPC1MEN1KMT2AALDH1A1KDM4E
SCHEMBL15704202 0.81 KDM4E (0.66) MEN1KMT2AKDM4EKCNH2HRH3

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-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
EP-2714681-B1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 US disclosed
WO-2012162365-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-29 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-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 NPC1 4027/4885MEN1 4470/4885KMT2A 2047/4885

“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.