SCHEMBL6710089

SCHEMBL6710089

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2noc(=O)[nH]2)cc2c(-c3ccccc3C(F)(F)F)cc(-c3ccccc3C(F)(F)F)c(NC(=O)Cc3ccccc3)c21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.33
PARP14 Q460N5 1/20 0.33
BRD4 O60885 1/20 0.32
HDAC1 Q13547 1/20 0.32
LMNA P02545 1/20 0.31
RORC P51449 3/20 0.31
CMA1 P23946 1/20 0.31
ACP1 P24666 1/20 0.30
IDO1 P14902 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 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
SCHEMBL6707799 0.90 RORC (0.35) BRD4HDAC1LMNARORCCMA1
SCHEMBL6708003 0.90 KMT2A (0.32) PARP14BRD4HDAC1RORCCMA1
SCHEMBL6710232 0.87 NTRK1 (0.34) NTRK1PARP14BRD4HDAC1LMNA
SCHEMBL6710244 0.85 PARP14 (0.34) PARP14LMNARORCIDO1KDM4E
SCHEMBL6830370 0.85 LMNA (0.36) NTRK1PARP14LMNARORCACP1
SCHEMBL6709930 0.82 PARP14 (0.37) NTRK1PARP14LMNARORCIDO1
SCHEMBL6713525 0.77 ROCK1 (0.36) NTRK1CMA1
SCHEMBL6708653 0.77 RORC (0.36) LMNARORCKDM4EALDH1A1
SCHEMBL6710267 0.77 RXFP1 (0.34) RORCKDM4EALDH1A1GAA
SCHEMBL6709143 0.76 ALDH1A1 (0.35) NTRK1PARP14LMNARORCALDH1A1

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 NTRK1 3519/4885PARP14 2597/4885BRD4 1588/4885

“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.