SCHEMBL3642575

SCHEMBL3642575

COC(=O)c1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 12/20 0.68
TCF7L2 Q9NQB0 12/20 0.68
PDE5A O76074 2/20 0.60
HRH4 Q9H3N8 1/20 0.60
HTR2A P28223 1/20 0.56
DRD3 P35462 1/20 0.56
KDM4E B2RXH2 3/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GLA P06280 2/20 0.55
TSHR P16473 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
THRB P10828 1/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 1/20 0.53

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
SCHEMBL3643109 0.93 CTNNB1 (0.60) CTNNB1TCF7L2PDE5AHRH4HTR2A
SCHEMBL7255659 0.89 CTNNB1 (0.72) CTNNB1TCF7L2PDE5AHRH4HTR2A
SCHEMBL7255656 0.86 HRH4 (0.64) CTNNB1TCF7L2PDE5AHRH4PDE4A
SCHEMBL7259546 0.85 KMT5A (0.59) CTNNB1TCF7L2
SCHEMBL3638613 0.85 PDE5A (0.65) CTNNB1TCF7L2PDE5AHRH4HTR2A
SCHEMBL3639211 0.84 PDE5A (0.77) CTNNB1TCF7L2PDE5AHRH4HTR2A
SCHEMBL2592377 0.84 PDE5A (0.77) CTNNB1TCF7L2PDE5AHRH4HTR2A
SCHEMBL3640595 0.84 PDE5A (0.69) CTNNB1TCF7L2PDE5AHRH4HTR2A
SCHEMBL3644763 0.84 PDE5A (0.65) CTNNB1TCF7L2PDE5AHRH4HTR2A
SCHEMBL3643346 0.83 PDE5A (0.79) CTNNB1TCF7L2PDE5AHRH4HTR2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 US claimed
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 US disclosed
EP-2173346-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS Summit Corporation Plc (GB) 2010-04-14 EP disclosed
WO-2009001060-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS SUMMIT CORPORATION PLC (GB) 2008-12-31 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-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS TPX2, DCXR, RRM2 CTNNB1 4434/4885TCF7L2 1383/4885PDE5A 2048/4885

“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.