SCHEMBL6708653

SCHEMBL6708653

Cn1c(C(=O)Nc2ccc(Cl)cc2-c2nnn[nH]2)cc2c(-c3ccccc3C(F)(F)F)cc(-c3ccccc3C(F)(F)F)c(NC(=O)Cc3ccccc3)c21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.36
GRM5 P41594 1/20 0.34
HSD11B1 P28845 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 2/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 4/20 0.31
TP53 P04637 2/20 0.31
NPY5R Q15761 1/20 0.31
LMNA P02545 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
SCHEMBL6710267 0.92 RXFP1 (0.34) RORCKDM4EALDH1A1
SCHEMBL6710232 0.90 NTRK1 (0.34) RORCLMNA
SCHEMBL6707799 0.87 RORC (0.35) RORCGRM5KDM4EPOLBMAPT
SCHEMBL6712257 0.84 ALDH1A1 (0.36) RORCKDM4ESMN1; SMN2POLBUSP2
SCHEMBL6711396 0.81 HSD11B1 (0.38) GRM5HSD11B1KDM4ESMN1; SMN2CYP1A2
SCHEMBL6710388 0.81 L3MBTL1 (0.38) RORCKDM4ESMN1; SMN2POLBALDH1A1
SCHEMBL6708003 0.79 KMT2A (0.32) RORCKDM4EALDH1A1MAPTTP53
SCHEMBL6710089 0.77 NTRK1 (0.33) RORCKDM4EALDH1A1LMNA
SCHEMBL6710049 0.76 HIF1A (0.39) KDM4ESMN1; SMN2ALDH1A1CYP2C9CYP2C19
SCHEMBL6830370 0.76 LMNA (0.36) RORCKDM4EALDH1A1LMNA

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 RORC 1202/4885GRM5 4139/4885HSD11B1 3068/4885

“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.