SCHEMBL4579522

SCHEMBL4579522

COc1cc(Sc2ccc(C#N)c(NC3CCCC3O)c2)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.44
CXCR6 O00574 1/20 0.38
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35
TUBB3 Q13509 2/20 0.35
TUBB2A Q13885 2/20 0.35
TUBB8 Q3ZCM7 2/20 0.35
TUBA3E Q6PEY2 2/20 0.35
TUBA1A Q71U36 2/20 0.35
TUBA1C Q9BQE3 2/20 0.35
TUBB6 Q9BUF5 2/20 0.35
TUBB2B Q9BVA1 2/20 0.35
TUBB1 Q9H4B7 2/20 0.35

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
SCHEMBL4579622 0.98 AR (0.42) ARCXCR6KMT2AMAPTMEN1
SCHEMBL4581185 0.81 HSP90AA1 (0.37) KMT2AMEN1TUBB4ATUBBTUBA3C
SCHEMBL4581927 0.79 ALDH1A1 (0.39) KMT2AMEN1TUBB4ATUBBTUBA3C
SCHEMBL4582350 0.78 AR (0.41) ARCXCR6KMT2AMAPTMEN1
SCHEMBL4580156 0.74 AR (0.44) AR
SCHEMBL4579580 0.74 AR (0.38) ARCXCR6KMT2AMAPTMEN1
SCHEMBL5009937 0.71 IRAK4 (0.38) ARKMT2AMAPTMEN1KDM4E
SCHEMBL4581746 0.67 AR (0.44) ARKMT2AMAPTMEN1KDM4E
SCHEMBL4581544 0.67 PRKCQ (0.42) ARCXCR6MAPTKDM4EALDH1A1
SCHEMBL17384347 0.66 TAS1R3 (0.49) KMT2AMAPTMEN1TSHRMAPK1

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 5 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
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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-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.