SCHEMBL4448588

SCHEMBL4448588

Clc1ccccc1-c1nn[c]o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.57
RAB9A P51151 7/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
TP53 P04637 2/20 0.57
HPGD P15428 2/20 0.57
NOTUM Q6P988 2/20 0.50
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
CASP3 P42574 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SENP8 Q96LD8 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL11221338 0.78 RAB9A (0.49) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL8629680 0.77 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL8630238 0.77 RAB9A (0.57) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL8629170 0.77 CASP3 (0.46) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL5267951 0.74 ALOX15 (0.47) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL15392970 0.73 NOTUM (0.36) NPC1RAB9ASMN1; SMN2NOTUMALDH1A1
SCHEMBL3613332 0.73 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL5945934 0.73 NOTUM (0.54) NOTUML3MBTL1HSD11B1C1R
SCHEMBL352664 0.71 NPC1 (0.50) NPC1RAB9ASMN1; SMN2HPGDNOTUM
SCHEMBL11324245 0.70 L3MBTL1 (0.55) NPC1RAB9AALDH1A1KDM4ECASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO claimed
CN-110846675-B Synthetic method of 2- (5-aryl-1, 3, 4-oxadiazole-2-yl) aniline compound 阜阳师范大学 2021-05-28 CN disclosed
CN-110846675-A Synthetic method of 2- (5-aryl-1, 3, 4-oxadiazole-2-yl) aniline compound 阜阳师范大学 2020-02-28 CN disclosed
US-20090136472-A1 Use of thiazole derivatives and analogues in disorders caused by free fatty acids BETAGENON AB (SE) 2009-05-28 US disclosed
WO-2008090356-A1 THIAZOLIDINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND DISORDERS CAUSED BY EXCESS ADIPOSITY BETAGENON AB (SE) 2008-07-31 WO disclosed
EP-1906956-A2 USE OF THIAZOLE DERIVATIVES AND ANALOGUES IN DISORDERS CAUSED BY FREE FATTY ACIDS Betagenon AB (SE) 2008-04-09 EP disclosed
WO-2007010281-A2 USE OF THIAZOLE DERIVATIVES AND ANALOGUES IN DISORDERS CAUSED BY FREE FATTY ACIDS BETAGENON AB (SE) 2007-01-25 WO disclosed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 NPC1 277/4885RAB9A 2649/4885SMN1; SMN2 3733/4885
US-20090136472-A1 Use of thiazole derivatives and analogues in disorders caused by free fatty acids FFAR2, FFAR1, FFAR4 NPC1 778/4885RAB9A 3790/4885SMN1; SMN2 2257/4885

“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.