SCHEMBL6710331

SCHEMBL6710331

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2nnn[nH]2)cc2cccc(-c3ccc(C(C)(C)C)cc3)c21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.38
TP53 P04637 1/20 0.35
CCR9 P51686 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SGK1 O00141 1/20 0.33
F10 P00742 1/20 0.32
ROCK1 Q13464 1/20 0.32
BTK Q06187 6/20 0.31
CSF1R P07333 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
KIT P10721 1/20 0.31
KMT2A Q03164 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
SCHEMBL6710210 0.91 GSK3A (0.36) TP53ALDH1A1F10ROCK1KMT2A
SCHEMBL6710384 0.89 F10 (0.33) ALDH1A1F10ROCK1CSF1RKIT
SCHEMBL6707725 0.88 HIF1A (0.38) NR1H4TP53KDM4EALDH1A1MAPT
SCHEMBL6711650 0.88 SERPINE1 (0.38) NR1H4TP53KDM4EALDH1A1MAPT
SCHEMBL6708989 0.86 LMNA (0.38) TP53MAPTCSF1RKMT2A
SCHEMBL6710104 0.85 TRPA1 (0.33) KMT2A
SCHEMBL6711902 0.85 THRB (0.37) ALDH1A1F10CSF1RKMT2A
SCHEMBL6712092 0.85 RARB (0.42) NR1H4TP53F10ROCK1BTK
SCHEMBL6713833 0.85 CXCR1 (0.34) KMT2A
SCHEMBL6707965 0.85 NTRK1 (0.35) KMT2A

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 NR1H4 1116/4885TP53 2699/4885CCR9 4493/4885

“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.