SCHEMBL3048656

SCHEMBL3048656

Nc1ccc(OCC2CCCCO2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
DRD4 P21917 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
GCGR P47871 1/20 0.41
EPHA2 P29317 1/20 0.41
KDR P35968 1/20 0.41
POLB P06746 2/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
PTGER1 P34995 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL30140451 1.00 NPC1 (0.43) NPC1RAB9ACASP3SENP7DRD4
SCHEMBL10188109 0.92 DRD4 (0.46) NPC1RAB9ACASP3SENP7DRD4
SCHEMBL8488392 0.86 ALDH1A1 (0.42) NPC1RAB9ADRD4ALDH1A1HPGD
Hydrochloric Acid SCHEMBL8489162 0.85 ALDH1A1 (0.44) NPC1RAB9ADRD4ALDH1A1HPGD
SCHEMBL3052373 0.85 RAB9A (0.44) NPC1RAB9ADRD4ALDH1A1HPGD
SCHEMBL4364284 0.85 EPHA2 (0.46) NPC1RAB9ACASP3SENP7DRD4
SCHEMBL3182576 0.83 DRD4 (0.50) NPC1RAB9ACASP3SENP7DRD4
SCHEMBL23537707 0.82 DRD4 (0.38) NPC1RAB9ACASP3SENP7DRD4
SCHEMBL30127002 0.82 DRD4 (0.38) NPC1RAB9ACASP3SENP7DRD4
SCHEMBL10549228 0.82 ALDH1A1 (0.45) NPC1RAB9ACASP3SENP7DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222344-A1 4-ANILINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB 2010-09-02 US disclosed
EP-1957499-A1 4-ANILINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2008-08-20 EP disclosed
WO-2007063291-A1 4-ANILINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2007-06-07 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 (1 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-20100222344-A1 4-ANILINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ERBB2, ABL1, ERBB4 NPC1 4571/4885RAB9A 1834/4885CASP3 1428/4885

“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.