SCHEMBL4579580

SCHEMBL4579580

COc1cc(Sc2ccc(C#N)c(NC3CCC(OC(=O)CN)CC3)c2)cc(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.38
CXCR6 O00574 1/20 0.38
KMT2A Q03164 3/20 0.36
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ABCB1 P08183 2/20 0.35
PDE5A O76074 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 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
SCHEMBL4581214 0.86 HSP90AA1 (0.44) CXCR6KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL4582350 0.78 AR (0.41) ARCXCR6KMT2AMAPTSMN1; SMN2
SCHEMBL4580156 0.74 AR (0.44) AR
SCHEMBL4579622 0.74 AR (0.42) ARCXCR6KMT2AMAPTSMN1; SMN2
SCHEMBL4579522 0.74 AR (0.44) ARCXCR6KMT2AMAPTSMN1; SMN2
SCHEMBL4581106 0.73 AR (0.39) ARKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL4582342 0.70 TUBB4A (0.41) ARCXCR6KMT2ASMN1; SMN2KDM4E
SCHEMBL4783383 0.69 SMN1; SMN2 (0.45) CXCR6KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL4581746 0.68 AR (0.44) ARKMT2AMAPTMEN1KDM4E
SCHEMBL4581544 0.68 PRKCQ (0.42) ARCXCR6MAPTKDM4EALDH1A1

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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 AR 771/4885CXCR6 290/4885KMT2A 2720/4885

“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.