SCHEMBL4582795

SCHEMBL4582795

COc1ccc(Nc2cc(N3C(=O)C(CCO)=C4CCCCC43)ccc2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.43
MAPT P10636 8/20 0.43
KMT2A Q03164 7/20 0.43
HPGD P15428 6/20 0.43
MEN1 O00255 6/20 0.43
KDM4E B2RXH2 5/20 0.43
HSD17B10 Q99714 3/20 0.43
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
CDK1 P06493 1/20 0.37
KDR P35968 1/20 0.37
AR P10275 4/20 0.35
GAA P10253 3/20 0.35
RECQL P46063 1/20 0.35
SHMT2 P34897 1/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4580872 0.86 HSP90AA1 (0.45) ALDH1A1MAPTKMT2AHPGDMEN1
SCHEMBL14252188 0.82 AR (0.34) ALDH1A1MAPTKMT2AHPGDMEN1
SCHEMBL4580485 0.77 AR (0.41) AR
SCHEMBL4580904 0.74 CYP19A1 (0.36)
SCHEMBL4580025 0.74 PRKCQ (0.38) AR
SCHEMBL4579335 0.73 ABCC9 (0.34) ALDH1A1MAPTHPGDKDM4EAR
SCHEMBL4580705 0.71 CYP11B2 (0.43) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL14252193 0.71 PRKCQ (0.39) AR
SCHEMBL4582527 0.71 PRKCQ (0.39) AR
SCHEMBL4581779 0.69 AR (0.38) AR

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
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 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-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, CCNB3 ALDH1A1 580/4885MAPT 3953/4885KMT2A 2974/4885

“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.