SCHEMBL3638792

SCHEMBL3638792

Fc1ccc(CNc2nc(N3CCC(F)(F)CC3)nc3ccccc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 6/20 0.62
TCF7L2 Q9NQB0 6/20 0.62
HRH4 Q9H3N8 3/20 0.61
PDE5A O76074 2/20 0.61
MAPT P10636 2/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPK1 P28482 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HTR2A P28223 3/20 0.57
DRD3 P35462 1/20 0.57
LMNA P02545 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
APP P05067 1/20 0.57
MAOB P27338 1/20 0.56
USP1 O94782 1/20 0.50
WDR48 Q8TAF3 1/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48

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
SCHEMBL3644755 0.89 HRH4 (0.55) CTNNB1TCF7L2HRH4
SCHEMBL3639927 0.89 CTNNB1 (0.76) CTNNB1TCF7L2HRH4PDE5AMAPT
SCHEMBL3641690 0.87 CTNNB1 (0.76) CTNNB1TCF7L2HRH4PDE5AMAPT
SCHEMBL3642099 0.87 HRH4 (0.56) CTNNB1TCF7L2HRH4PDE5AMAPT
SCHEMBL3638476 0.86 PDE5A (0.56) CTNNB1TCF7L2HRH4PDE5AMAPT
SCHEMBL3639783 0.85 PDE5A (0.84) CTNNB1TCF7L2HRH4PDE5AMAPT
SCHEMBL27808533 0.83 CTNNB1 (0.64) CTNNB1TCF7L2HRH4PDE5AMAPT
SCHEMBL3640934 0.83 KDM4E (0.85) CTNNB1TCF7L2HRH4PDE5AMAPT
SCHEMBL3773303 0.83 PDE5A (0.62) CTNNB1TCF7L2HRH4PDE5AMAPT
SCHEMBL27808528 0.83 CTNNB1 (0.68) CTNNB1TCF7L2HRH4PDE5AMAPT

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 6 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
CN-101784276-A Use of compounds for the preparation of antituberculosis agents SUMMIT CORP PLC 2010-07-21 CN claimed
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 US disclosed
CN-101784276-A Use of compounds for the preparation of antituberculosis agents SUMMIT CORP PLC 2010-07-21 CN 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 1383/4885HRH4 360/4885

“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.