SCHEMBL6708677

SCHEMBL6708677

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2nnn[nH]2)cc2cccc(NC(=O)CF)c21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
ROCK2 O75116 3/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 3/20 0.31
TRPA1 O75762 1/20 0.31
KDM1A O60341 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
MAPK14 Q16539 1/20 0.31
CHRM3 P20309 1/20 0.30
PARP14 Q460N5 1/20 0.30
MAPT P10636 1/20 0.30
MDM2 Q00987 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
SCHEMBL6710533 0.90 ALDH1A1 (0.34) PKMLMNAPARP14MAPT
SCHEMBL6709087 0.89 TRPA1 (0.42) ROCK2LMNATRPA1KDM1AMAPT
SCHEMBL6707833 0.88 RXFP1 (0.36) THRBLMNAKDM1AMAPT
SCHEMBL6711867 0.88 HIF1A (0.37) LMNA
SCHEMBL6710104 0.87 TRPA1 (0.33) PKMROCK2THRBLMNATRPA1
SCHEMBL6713833 0.86 CXCR1 (0.34) PKMROCK2THRBLMNATRPA1
SCHEMBL6709838 0.86 KDM4E (0.38) ROCK2LMNA
SCHEMBL6711902 0.85 THRB (0.37) PKMTHRBLMNATRPA1PDCD1
SCHEMBL6710210 0.85 GSK3A (0.36) THRBTRPA1CHRM3
SCHEMBL6713413 0.84 PKM (0.33) PKMROCK2THRBLMNATRPA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 PKM 3958/4885ROCK2 4868/4885THRB 4472/4885

“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.