SCHEMBL6707785

SCHEMBL6707785

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2nnn[nH]2)cc2ccc(OCc3ccccc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 7/20 0.44
SRD5A2 P31213 1/20 0.42
KDM1A O60341 4/20 0.39
ROCK2 O75116 1/20 0.39
MAOA P21397 1/20 0.38
MET P08581 1/20 0.37
WNT1 P04628 1/20 0.36
DYRK1A Q13627 1/20 0.36
RCOR1 Q9UKL0 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGLN2 Q96KS0 2/20 0.36
EGLN1 Q9GZT9 2/20 0.36
EPHB3 P54753 1/20 0.36

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
SCHEMBL6714035 0.89 ROCK2 (0.36) TDP2KDM1AROCK2MAOARCOR1
SCHEMBL6713419 0.89 SRD5A2 (0.44) SRD5A2KDM1AMAOAWNT1DYRK1A
SCHEMBL6712525 0.89 SRD5A2 (0.44) SRD5A2KDM1AMAOARCOR1TSHR
SCHEMBL6708021 0.88 MAPT (0.41) TDP2KDM1AROCK2MAOATSHR
SCHEMBL6714039 0.87 KDM1A (0.44) KDM1AROCK2MAOARCOR1
SCHEMBL6707752 0.86 KDM1A (0.43) KDM1AROCK2MAOARCOR1
SCHEMBL6918878 0.85 TDP2 (0.45) TDP2SRD5A2KDM1AROCK2MAOA
SCHEMBL6709131 0.85 PPIA (0.39) TDP2SRD5A2KDM1AMET
SCHEMBL6708703 0.85 ROCK2 (0.35) TDP2KDM1AROCK2MAOARCOR1
SCHEMBL6711975 0.85 TRPA1 (0.46) KDM1AROCK2MAOA

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 TDP2 3788/4885SRD5A2 873/4885KDM1A 620/4885

“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.