SCHEMBL914482

SCHEMBL914482

Cc1ccc(-c2nc3ccccc3c(=O)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 1.00
RAB9A P51151 4/20 1.00
ELANE P08246 2/20 0.78
RXFP1 Q9HBX9 1/20 0.72
ALDH1A1 P00352 9/20 0.71
KDM4E B2RXH2 6/20 0.71
MAPT P10636 4/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
LMNA P02545 1/20 0.71
TP53 P04637 3/20 0.66
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
HPGD P15428 4/20 0.62
F2 P00734 2/20 0.60
XBP1 P17861 1/20 0.60
GAA P10253 1/20 0.60
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL29456973 0.92 ELANE (0.93) NPC1RAB9AELANERXFP1ALDH1A1
SCHEMBL125184 0.92 ELANE (0.93) NPC1RAB9AELANERXFP1ALDH1A1
SCHEMBL12212888 0.90 ELANE (0.89) NPC1RAB9AELANERXFP1ALDH1A1
SCHEMBL3254378 0.90 ELANE (0.89) NPC1RAB9AELANERXFP1ALDH1A1
SCHEMBL273036 0.88 ELANE (0.93) NPC1RAB9AELANERXFP1ALDH1A1
SCHEMBL29382161 0.88 ELANE (1.00) NPC1RAB9AELANERXFP1ALDH1A1
SCHEMBL272702 0.88 ELANE (1.00) NPC1RAB9AELANERXFP1ALDH1A1
SCHEMBL11813493 0.86 NPC1 (0.75) NPC1RAB9AELANERXFP1ALDH1A1
SCHEMBL12744508 0.84 NPC1 (0.73) NPC1RAB9AELANERXFP1ALDH1A1
SCHEMBL17254742 0.84 NPC1 (0.70) NPC1RAB9AELANERXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10016425-B2 Anti-ulcerative colitis compound KING SAUD UNIVERSITY (SA) 2018-07-10 US disclosed
US-10016425-B2 Anti-ulcerative colitis compound KING SAUD UNIVERSITY (SA) 2018-07-10 US disclosed
US-10016425-B2 Anti-ulcerative colitis compound KING SAUD UNIVERSITY (SA) 2018-07-10 US disclosed
US-20180117046-A1 ANTI-ULCERATIVE COLITIS COMPOUND KING SAUD UNIVERSITY (SA) 2018-05-03 US disclosed
US-20180117046-A1 ANTI-ULCERATIVE COLITIS COMPOUND KING SAUD UNIVERSITY (SA) 2018-05-03 US disclosed
US-20180117046-A1 ANTI-ULCERATIVE COLITIS COMPOUND KING SAUD UNIVERSITY (SA) 2018-05-03 US disclosed
US-7872052-B2 Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2011-01-18 US disclosed
US-7244776-B2 Ultraviolet light absorbers CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-07-17 US disclosed
US-7244776-B2 Ultraviolet light absorbers CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-07-17 US disclosed
US-20070100031-A1 Ultraviolet light absorbers RAVICHANDRAN RAMANATHAN 2007-05-03 US disclosed
US-20070100031-A1 Ultraviolet light absorbers RAVICHANDRAN RAMANATHAN 2007-05-03 US disclosed
US-7173128-B2 Ultraviolet light absorbers CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-02-06 US disclosed
US-7173128-B2 Ultraviolet light absorbers CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-02-06 US disclosed
US-20060258651-A1 Use of heterocyclic compounds as scce inhibitors QUANTUM LTO HOLDINGS, LLC 2006-11-16 US disclosed
US-20060052345-A1 Quinazolinone compounds as calcilytics NPS PHARMACEUTICALS, INC. (US) 2006-03-09 US disclosed
EP-1631295-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER Arexis AB (SE) 2006-03-08 EP disclosed
WO-2004108139-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER AREXIS AB (SE) 2004-12-16 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 (4 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-20060258651-A1 Use of heterocyclic compounds as scce inhibitors RCE1, CTSE, SPINT2 NPC1 4151/4885RAB9A 3514/4885ELANE 353/4885
US-10016425-B2 Anti-ulcerative colitis compound RPL3, RPS3, HRH2 NPC1 4099/4885RAB9A 531/4885ELANE 2418/4885
US-20060052345-A1 Quinazolinone compounds as calcilytics CALCR, CALCRL, CASR NPC1 2093/4885RAB9A 444/4885ELANE 3009/4885
US-20180117046-A1 ANTI-ULCERATIVE COLITIS COMPOUND RPL3, RPS3, HRH2 NPC1 4003/4885RAB9A 538/4885ELANE 2332/4885

“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.