SCHEMBL3640934

SCHEMBL3640934

Fc1ccc(CNc2nc(N3CCN(Cc4ccccc4)CC3)nc3ccccc23)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.85
MAPT P10636 3/20 0.85
NPSR1 Q6W5P4 2/20 0.85
MAPK1 P28482 1/20 0.85
HTR2A P28223 3/20 0.68
DRD3 P35462 1/20 0.68
HRH4 Q9H3N8 3/20 0.67
PDE5A O76074 2/20 0.67
LMNA P02545 2/20 0.67
KMT2A Q03164 2/20 0.67
ALDH1A1 P00352 1/20 0.67
HTT P42858 1/20 0.67
ALOX15 P16050 1/20 0.67
ACHE P22303 1/20 0.62
CTNNB1 P35222 5/20 0.61
TCF7L2 Q9NQB0 5/20 0.61
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HTR2C P28335 2/20 0.57
MEN1 O00255 1/20 0.56

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
SCHEMBL12134666 0.93 KDM4E (0.98) KDM4EMAPTNPSR1MAPK1HTR2A
SCHEMBL3639927 0.88 CTNNB1 (0.76) KDM4EMAPTNPSR1MAPK1HTR2A
SCHEMBL3640210 0.87 KDM4E (0.65) KDM4EMAPTNPSR1MAPK1HTR2A
SCHEMBL3641690 0.86 CTNNB1 (0.76) KDM4EMAPTNPSR1MAPK1HTR2A
SCHEMBL27808533 0.85 CTNNB1 (0.64) KDM4EMAPTNPSR1MAPK1HTR2A
SCHEMBL3639783 0.84 PDE5A (0.84) KDM4EMAPTNPSR1MAPK1HTR2A
SCHEMBL27808528 0.84 CTNNB1 (0.68) KDM4EMAPTNPSR1MAPK1HTR2A
SCHEMBL3638792 0.83 CTNNB1 (0.62) KDM4EMAPTNPSR1MAPK1HTR2A
SCHEMBL3642983 0.82 CTNNB1 (0.68) KDM4EMAPTNPSR1MAPK1HTR2A
SCHEMBL3773303 0.82 PDE5A (0.62) KDM4EMAPTNPSR1MAPK1HTR2A

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 KDM4E 3866/4885MAPT 4284/4885NPSR1 1809/4885

“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.