SCHEMBL127262

SCHEMBL127262

Nc1nc(-c2ccc(N3CCCC3)cc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.54
ALDH1A1 P00352 7/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
NPC1 O15118 5/20 0.54
MAPT P10636 4/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
LTA4H P09960 1/20 0.54
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
ALOX5 P09917 1/20 0.54
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53
TP53 P04637 2/20 0.50

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
Bromide SCHEMBL6833632 0.98 RAB9A (0.56) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL24202029 0.98 RAB9A (0.54) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL129802 0.87 ALOX5 (0.57) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL7369256 0.86 HTR2A (0.56) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL7040245 0.82 RAB9A (0.59) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL29654073 0.81 CYP1A1 (0.61) RAB9ASMN1; SMN2NPC1MAPTMEN1
Bromide SCHEMBL6832825 0.81 RAB9A (0.58) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL19627013 0.81 RAB9A (0.60) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL29654014 0.80 CYP1A1 (0.47) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL29654111 0.80 HTR2A (0.51) RAB9AALDH1A1SMN1; SMN2NPC1MAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016115092-A1 METHODS FOR TARGETING HOST VASCULAR MECHANISM FOR THERAPEUTIC PROTECTION AGAINST HEMORRHAGIC FEVER LA JOLLA INSTITUTE FOR ALLERGY AND IMMUNOLOGY (US) 2016-07-21 WO disclosed
US-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SASU (FR) 2012-11-08 US disclosed
US-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SASU (FR) 2012-11-08 US disclosed
US-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SASU (FR) 2012-11-08 US disclosed
US-8247412-B2 Urea derivatives methods for their manufacture and uses thereof GALAPAGOS SASU (FR) 2012-08-21 US disclosed
US-8247412-B2 Urea derivatives methods for their manufacture and uses thereof GALAPAGOS SASU (FR) 2012-08-21 US disclosed
EP-1874765-B1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE AND USES THEREOF GALAPAGOS SAS (FR) 2012-03-07 EP disclosed
EP-2354137-A1 Urea derivatives, methods for their manufacture, and uses thereof Galapagos SAS (FR) 2011-08-10 EP disclosed
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 US disclosed
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 US disclosed
EP-1874765-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF Proskelia SAS (FR) 2008-01-09 EP disclosed
WO-2006117211-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF PROSKELIA SAS (FR) 2006-11-09 WO disclosed
US-20030158199-A1 Novel compounds for inhibition of Tie-2 KYLIX, B.V. (NL) 2003-08-21 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-20030158199-A1 Novel compounds for inhibition of Tie-2 TIE1, TEK, KDR RAB9A 3641/4885ALDH1A1 1890/4885SMN1; SMN2 4623/4885
US-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR UTS2R, UGP2, SLC14A1 RAB9A 3293/4885ALDH1A1 375/4885SMN1; SMN2 4565/4885
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof UGP2, UTS2R, UMPS RAB9A 2027/4885ALDH1A1 564/4885SMN1; SMN2 4052/4885

“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.