SCHEMBL1965290

SCHEMBL1965290

CN1CCC(CC(C(=O)O)c2ccc(Br)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNA1C Q13936 1/20 0.41
PRCP P42785 1/20 0.39
CHRM1 P11229 2/20 0.38
FPR2 P25090 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
HSD11B1 P28845 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL1967489 0.85 ALDH1A1 (0.43) ALDH1A1FPR2CYP1A2CYP2D6TSHR
SCHEMBL2646620 0.84 KMT2A (0.49) KMT2ARAB9A
SCHEMBL2460877 0.76 GCK (0.56) KMT2AALDH1A1TSHR
SCHEMBL2460873 0.76 GCK (0.56) KMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL2654484 0.75 GCK (0.55) KMT2AALDH1A1TSHR
SCHEMBL1966634 0.73 NOS3 (0.42) KMT2AALDH1A1
SCHEMBL11879793 0.72 CYP2C19 (0.50) KMT2AALDH1A1CYP2D6KDM4E
SCHEMBL8496508 0.72 CYP2C19 (0.50) KMT2AALDH1A1CYP2D6KDM4E
SCHEMBL2173279 0.71 CCR5 (0.43) CACNA1B
SCHEMBL10380391 0.71 CPB2 (0.43) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202866-B2 Ortho-aminoanilides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2012-06-19 US disclosed
US-8202866-B2 Ortho-aminoanilides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2012-06-19 US disclosed
US-8202866-B2 Ortho-aminoanilides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2012-06-19 US disclosed
EP-2334658-A2 ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2011-06-22 EP disclosed
WO-2010031708-A2 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
WO-2010031708-A2 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-03-18 US disclosed
US-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-03-18 US disclosed
US-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-03-18 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-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER IL4I1, MKI67, ABL1 KMT2A 1202/4885ALDH1A1 657/4885CACNA2D1 2877/4885

“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.