SCHEMBL493221

SCHEMBL493221

CN(C)C(CCc1ccccc1)C1CCC(NC(=O)CNC(=O)c2nc(-c3cccs3)no2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
LMNA P02545 3/20 0.53
PKM P14618 1/20 0.47
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.46
DAGLA Q9Y4D2 1/20 0.45
HTT P42858 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.37
FFAR1 O14842 1/20 0.36

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
SCHEMBL493063 0.93 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ALMNAPKM
SCHEMBL493800 0.86 GHSR (0.38) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL493779 0.86 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ALMNAPKM
SCHEMBL493060 0.85 FAAH (0.44) SMN1; SMN2NPC1RAB9ADAGLAHTT
SCHEMBL493591 0.85 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPKMKMT2AMAPT
SCHEMBL493674 0.85 TDP1 (0.38) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL493502 0.85 KMT2A (0.40) SMN1; SMN2NPC1RAB9ALMNAPKM
SCHEMBL492980 0.84 KDM4E (0.45) SMN1; SMN2NPC1LMNAPKMKMT2A
SCHEMBL493677 0.84 KMT2A (0.49) KMT2AMAPT
SCHEMBL493049 0.83 KMT2A (0.38) SMN1; SMN2NPC1RAB9AKMT2AMAPT

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 3 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
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 (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-20170066759-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPC4, TRPV2 SMN1; SMN2 3980/4885NPC1 971/4885RAB9A 1927/4885

“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.