SCHEMBL493604

SCHEMBL493604

O=C(O)CNC(=O)c1nc(-c2cccs2)no1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.74
LMNA P02545 4/20 0.74
RAB9A P51151 7/20 0.73
NPC1 O15118 6/20 0.73
KMT2A Q03164 3/20 0.69
MAPT P10636 3/20 0.64
PKM P14618 1/20 0.60
POLB P06746 1/20 0.58
HTT P42858 1/20 0.58
MCL1 Q07820 1/20 0.56
DAGLA Q9Y4D2 1/20 0.54
TP53 P04637 1/20 0.50
ATM Q13315 1/20 0.50
HPGD P15428 2/20 0.48
HDAC8 Q9BY41 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
MEN1 O00255 1/20 0.46
FFAR1 O14842 1/20 0.46

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
SCHEMBL493260 0.88 SMN1; SMN2 (0.75) SMN1; SMN2LMNARAB9ANPC1KMT2A
SCHEMBL16437799 0.86 SMN1; SMN2 (0.75) SMN1; SMN2LMNARAB9ANPC1KMT2A
SCHEMBL31036198 0.84 SMN1; SMN2 (0.72) SMN1; SMN2LMNARAB9ANPC1KMT2A
SCHEMBL16437800 0.84 SMN1; SMN2 (0.73) SMN1; SMN2LMNARAB9ANPC1KMT2A
SCHEMBL19380258 0.84 RAB9A (0.73) SMN1; SMN2LMNARAB9ANPC1KMT2A
SCHEMBL492763 0.81 SMN1; SMN2 (0.64) SMN1; SMN2LMNARAB9ANPC1KMT2A
SCHEMBL19380060 0.78 LMNA (0.74) SMN1; SMN2LMNARAB9ANPC1KMT2A
SCHEMBL15107378 0.78 SMN1; SMN2 (0.68) SMN1; SMN2LMNARAB9ANPC1KMT2A
SCHEMBL15107386 0.77 SMN1; SMN2 (0.65) SMN1; SMN2LMNARAB9ANPC1KMT2A
SCHEMBL29517825 0.77 SMN1; SMN2 (0.73) SMN1; SMN2LMNARAB9ANPC1KMT2A

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-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
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 (3 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 3980/4885LMNA 2584/4885RAB9A 1927/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD SMN1; SMN2 1729/4885LMNA 2485/4885RAB9A 2004/4885
US-20150038483-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPC4, TRPV2 SMN1; SMN2 3980/4885LMNA 2584/4885RAB9A 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.