SCHEMBL6711902

SCHEMBL6711902

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2nnn[nH]2)cc2cccc(-c3ccccc3F)c21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
CSF1R P07333 1/20 0.36
PKM P14618 1/20 0.36
CCKAR P32238 3/20 0.35
CCKBR P32239 3/20 0.35
LMNA P02545 3/20 0.34
TRPA1 O75762 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR6 P46095 2/20 0.32
F10 P00742 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
GRM4 Q14833 1/20 0.31

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
SCHEMBL6708989 0.91 LMNA (0.38) THRBCSF1RPKMLMNATRPA1
SCHEMBL6710210 0.90 GSK3A (0.36) THRBTRPA1ALDH1A1KMT2AF10
SCHEMBL6707965 0.90 NTRK1 (0.35) THRBPKMTRPA1KMT2A
SCHEMBL6712448 0.89 KDM4E (0.36) LMNASMN1; SMN2ALDH1A1GPR6
SCHEMBL6712008 0.88 HIF1A (0.40) CCKARCCKBRLMNAKMT2AF10
SCHEMBL6711863 0.88 GRM4 (0.37) CCKARCCKBRLMNAKMT2AF10
SCHEMBL6710104 0.88 TRPA1 (0.33) THRBPKMLMNATRPA1KMT2A
SCHEMBL6713833 0.87 CXCR1 (0.34) THRBPKMLMNATRPA1KMT2A
SCHEMBL6709087 0.86 TRPA1 (0.42) LMNATRPA1KMT2AGRM4
SCHEMBL6710525 0.86 PDE10A (0.34) THRBPKMLMNATRPA1

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 2 patents. 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
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 THRB 4472/4885CSF1R 1430/4885PKM 3958/4885

“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.