SCHEMBL2540575

SCHEMBL2540575

Cc1cc(=O)cc(C)n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 1/20 0.41
NQO1 P15559 1/20 0.41
ATAD2 Q6PL18 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL10915289 0.82 ATAD2 (0.38) POLBNPSR1NQO1ATAD2KDM4E
Hydrochloric Acid SCHEMBL10915873 0.80 ATAD2 (0.36) POLBNPSR1NQO1ATAD2MAPT
SCHEMBL25164695 0.77 POLB (0.33) POLBNPSR1NQO1SMN1; SMN2GAA
SCHEMBL27916882 0.73 POLB (0.46) POLBNPSR1NQO1ALOX15HSD17B10
SCHEMBL8894016 0.71 POLB (0.55) POLBNPSR1KDM4EMAPTALDH1A1
SCHEMBL28167081 0.71 ESR1 (0.42) ALDH1A1
SCHEMBL8521071 0.69 CYP1A2 (0.44) KDM4EMAPTALDH1A1NFKB1CASP3
SCHEMBL91340 0.69 ALDH1A1 (0.45) POLBNPSR1ATAD2KDM4EMAPT
SCHEMBL22991968 0.69 SMN1; SMN2 (0.39) POLBNPSR1NQO1ALDH1A1SMN1; SMN2
SCHEMBL6027678 0.67 TYMP (0.46) KDM4EALDH1A1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994007492-A1 USE OF 4-HYDRAZONO-1,4-DIHYDRO-PYRIDINE AND/OR 4-HYDRAZINO-PYRIDINE DERIVATIVES FOR TREATMENT OF HYPERTENSION AND CONGESTIVE HEART FAILURE THE UPJOHN COMPANY (US) 1994-04-14 WO claimed
US-8043385-B2 Composition oxidation colouring of keratinic fibres, containing a cationic cellulose ether, a metasilicate and oxidation dyes, method for oxidation colouring and uses thereof L'OREAL S.A. (FR) 2011-10-25 US disclosed
US-20100263138-A1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'OREAL S.A. (FR) 2010-10-21 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed
WO-1994007492-A1 USE OF 4-HYDRAZONO-1,4-DIHYDRO-PYRIDINE AND/OR 4-HYDRAZINO-PYRIDINE DERIVATIVES FOR TREATMENT OF HYPERTENSION AND CONGESTIVE HEART FAILURE THE UPJOHN COMPANY (US) 1994-04-14 WO disclosed
US-4297301-A A 4H-PYRAN-4-ONE OR N-ALKYL-4-PYRIDONE CATALYST FOR THE PHOSGENATION OF AN ACID OR ANHYDRIDE SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1981-10-27 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 (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-20100263138-A1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF KRT18, TUBB3, VIM POLB 1108/4885NPSR1 3861/4885NQO1 566/4885

“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.