SCHEMBL3638028

SCHEMBL3638028

c1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.62
GAA P10253 5/20 0.62
TSHR P16473 4/20 0.62
GLA P06280 4/20 0.62
HSD17B10 Q99714 4/20 0.62
LMNA P02545 3/20 0.62
ALDH1A1 P00352 3/20 0.62
HPGD P15428 3/20 0.62
THRB P10828 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
NPY1R P25929 1/20 0.60
PDE5A O76074 4/20 0.59
HTT P42858 1/20 0.59
HRH4 Q9H3N8 1/20 0.56
MAPT P10636 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MAPK1 P28482 1/20 0.54
ALOX12 P18054 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
SCHEMBL3641502 0.90 PDE5A (0.54) KDM4EGAATSHRGLAHSD17B10
SCHEMBL3639211 0.84 PDE5A (0.77) KDM4EGAATSHRGLAHSD17B10
SCHEMBL2592377 0.84 PDE5A (0.77) KDM4EGAATSHRGLAHSD17B10
SCHEMBL3778305 0.83 KDM4E (0.65) KDM4EGAATSHRGLAHSD17B10
SCHEMBL3643346 0.82 PDE5A (0.79) KDM4EGAATSHRGLAHSD17B10
SCHEMBL1091049 0.80 ADORA2A (0.66) KDM4EGAATSHRGLAHSD17B10
SCHEMBL1089924 0.80 ADORA2A (0.66) KDM4EGAATSHRGLAHSD17B10
SCHEMBL3645121 0.80 KDM4E (0.64) KDM4EGAATSHRGLAHSD17B10
SCHEMBL1091029 0.80 ADORA2A (0.66) KDM4EGAATSHRGLAHSD17B10
SCHEMBL3643245 0.79 PDE5A (0.63) KDM4EGAATSHRGLAHSD17B10

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 8 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
EP-2173346-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS Summit Corporation Plc (GB) 2010-04-14 EP claimed
WO-2009001060-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS SUMMIT CORPORATION PLC (GB) 2008-12-31 WO 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 KDM4E 3866/4885GAA 1009/4885TSHR 319/4885

“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.