SCHEMBL493256

SCHEMBL493256

CN(C)C(c1cccc(F)c1)C1CCC(CNC(=O)CCNC(=O)c2nc(-c3cccs3)no2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 3/20 0.44
LMNA P02545 4/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43
PKM P14618 2/20 0.43
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34

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
SCHEMBL493504 0.82 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL493514 0.79 HDAC4 (0.44) SMN1; SMN2NPC1LMNAKMT2APKM
SCHEMBL493708 0.79 KMT2A (0.39) SMN1; SMN2NPC1LMNAKMT2APOLB
SCHEMBL1327170 0.78 RAB9A (0.49) SMN1; SMN2RAB9ANPC1KMT2APOLB
SCHEMBL1328322 0.76 MAPK14 (0.45) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL492705 0.75 OPRL1 (0.44)
SCHEMBL493779 0.75 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL16434117 0.75 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL492704 0.74 OPRL1 (0.44)
SCHEMBL2310340 0.74 OPRL1 (0.40) KMT2AMEN1

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
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
US-20170066759-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY SHIONOGI & CO (JP) 2017-03-09 US disclosed
US-20170066759-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY SHIONOGI & CO (JP) 2017-03-09 US disclosed
US-9499533-B2 Aromatic 5-membered heterocyclic derivative having TRPV4-Inhibiting activity SHIONOGI & CO., LTD. (JP) 2016-11-22 US disclosed
US-20150038483-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2015-02-05 US disclosed
EP-2832731-A1 AROMATIC HETEROCYCLIC FIVE-MEMBERED RING DERIVATIVE HAVING TRPV4 INHIBITORY ACTIVITY Shionogi & Co., Ltd. (JP) 2015-02-04 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 (2 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-20170066759-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPC4, TRPV2 SMN1; SMN2 3980/4885RAB9A 1927/4885NPC1 971/4885
US-20150038483-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPC4, TRPV2 SMN1; SMN2 3980/4885RAB9A 1927/4885NPC1 971/4885

“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.