SCHEMBL4580812

SCHEMBL4580812

CCN(CC)CCCNc1cc(Cc2cc(OC)c(OC)c(OC)c2)ccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 1/20 0.42
FLT3 P36888 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40

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
SCHEMBL4580684 0.80 CYP3A4 (0.42) KDM4EALDH1A1FLT3TUBB4ATUBB
SCHEMBL10831309 0.70 KDM4E (0.47) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL4582342 0.69 TUBB4A (0.41) KDM4EALDH1A1POLBTUBB4ATUBB
SCHEMBL5361388 0.68 ALDH1A1 (0.57) KDM4EALDH1A1GAAHSD17B10TUBB4A
SCHEMBL4581510 0.68 DYRK1A (0.45) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL4580361 0.67 CA1 (0.41) KDM4EALDH1A1POLBTUBB4ATUBB
SCHEMBL4581289 0.66 TUBB4A (0.44) KDM4EALDH1A1GAATUBB4ATUBB
SCHEMBL4581014 0.66 PRKCQ (0.40) KDM4EALDH1A1GAATUBB4ATUBB
SCHEMBL4580567 0.65 PRKCQ (0.41) KDM4EALDH1A1GAATUBB4ATUBB
SCHEMBL4581085 0.65 DYRK1A (0.46) KDM4EALDH1A1GAAHPGDHSD17B10

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 KDM4E 1246/4885ALDH1A1 767/4885GAA 4591/4885

“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.