SCHEMBL4582346

SCHEMBL4582346

CCCCSc1cc(C#N)ccc1N1C(=O)C=C2C(=O)CC(C)(C)CC21

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
BACE1 P56817 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
CYP11B2 P19099 2/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
GRM2 Q14416 1/20 0.31
HPGD P15428 1/20 0.30
HSP90AB1 P08238 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL4580710 0.80 POLB (0.37) POLBKDM4EALDH1A1SMN1; SMN2CYP11B2
SCHEMBL7846802 0.62 TSHR (0.44) KDM4EALDH1A1SMN1; SMN2NPC1CYP1A2
SCHEMBL7065085 0.59 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2NPC1CYP1A2
SCHEMBL9140316 0.56 POLB (0.43) POLB
SCHEMBL23335180 0.56 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2NPC1CYP1A2
SCHEMBL4432612 0.56 ALDH1A1 (0.70) POLBALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL5694453 0.56 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2NPC1CYP1A2
SCHEMBL14034630 0.55 AR (0.52) KDM4EALDH1A1SMN1; SMN2NPC1CYP1A2
SCHEMBL8570597 0.55 AR (0.55) POLBKDM4EALDH1A1HPGDMAPT
SCHEMBL2979985 0.55 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2NPC1CYP1A2

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 POLB 1584/4885BACE1 3723/4885KDM4E 1162/4885

“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.