SCHEMBL4743091

SCHEMBL4743091

Oc1cccc(Nc2nc(-c3cccs3)cs2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.73
KMT2A Q03164 9/20 0.73
MAPT P10636 8/20 0.73
ALDH1A1 P00352 6/20 0.73
VCP P55072 2/20 0.73
ALOX5 P09917 2/20 0.67
CFTR P13569 1/20 0.67
NPC1 O15118 7/20 0.64
RAB9A P51151 7/20 0.64
SMN1; SMN2 Q16637 6/20 0.64
NFKB1 P19838 4/20 0.64
NFKB2 Q00653 4/20 0.64
RELA Q04206 4/20 0.64
GAA P10253 3/20 0.64
MAPK1 P28482 3/20 0.64
MBD2 Q9UBB5 1/20 0.63
KDM4E B2RXH2 2/20 0.62
HPGD P15428 1/20 0.62
AGER Q15109 2/20 0.59
CYP1A2 P05177 1/20 0.57

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
SCHEMBL18588861 0.85 CFTR (0.73) MEN1KMT2AMAPTALDH1A1VCP
SCHEMBL486534 0.82 ALOX5 (0.82) MEN1KMT2AMAPTALDH1A1VCP
SCHEMBL4742547 0.81 ALOX5 (1.00) MEN1KMT2AMAPTALDH1A1VCP
SCHEMBL30060152 0.77 MBD2 (1.00) MEN1KMT2AMAPTALDH1A1VCP
SCHEMBL13390238 0.77 MBD2 (1.00) MEN1KMT2AMAPTALDH1A1VCP
SCHEMBL7114964 0.77 ALOX5 (1.00) MEN1KMT2AMAPTVCPALOX5
SCHEMBL7115473 0.77 ALOX5 (0.73) MEN1KMT2AMAPTALDH1A1VCP
SCHEMBL4536179 0.76 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1VCP
SCHEMBL3049195 0.76 KMT2A (0.66) MEN1KMT2AMAPTALDH1A1VCP
SCHEMBL18221589 0.75 MEN1 (0.65) MEN1KMT2AMAPTALDH1A1VCP

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
WO-2008101029-A2 USE OF THIAZOLE, OXAZOLE AND IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-21 WO claimed
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
WO-2008101029-A2 USE OF THIAZOLE, OXAZOLE AND IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-21 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 (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 MEN1 3938/4885KMT2A 1257/4885MAPT 4306/4885
US-20150038483-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPC4, TRPV2 MEN1 3938/4885KMT2A 1257/4885MAPT 4306/4885

“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.