SCHEMBL3052249

SCHEMBL3052249

O=[N+]([O-])c1ccc(OCC2CCCCO2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.55
ALDH1A1 P00352 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.52
DRD4 P21917 3/20 0.51
RAB9A P51151 3/20 0.46
MAPT P10636 5/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CHEK1 O14757 1/20 0.43
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL8488406 0.87 CHEK1 (0.48) SMN1; SMN2ALDH1A1L3MBTL1DRD4MAPT
SCHEMBL3052957 0.87 DRD4 (0.49) SMN1; SMN2ALDH1A1L3MBTL1DRD4RAB9A
SCHEMBL4360550 0.87 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1L3MBTL1DRD4HPGD
SCHEMBL12835342 0.85 MAPT (0.51) SMN1; SMN2ALDH1A1L3MBTL1DRD4RAB9A
SCHEMBL3185266 0.85 DRD4 (0.57) SMN1; SMN2ALDH1A1L3MBTL1DRD4RAB9A
SCHEMBL23538192 0.84 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1L3MBTL1DRD4RAB9A
SCHEMBL10545783 0.83 DRD4 (0.48) SMN1; SMN2ALDH1A1L3MBTL1DRD4MAPT
SCHEMBL22069670 0.82 CYP19A1 (0.57) SMN1; SMN2ALDH1A1RAB9AMAPTHPGD
SCHEMBL10547312 0.82 TDP1 (0.48) SMN1; SMN2ALDH1A1L3MBTL1DRD4MAPT
SCHEMBL15260163 0.82 DRD4 (0.47) SMN1; SMN2ALDH1A1L3MBTL1DRD4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022266426-A1 6-(HETEROCYCLOALKYL-OXY)-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 WO disclosed
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 SMN1; SMN2 4174/4885ALDH1A1 1852/4885L3MBTL1 3145/4885

“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.