SCHEMBL3639211

SCHEMBL3639211

c1ccc(CNc2nc(N3CCCCCC3)nc3ccccc23)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.77
HRH4 Q9H3N8 3/20 0.77
KDM4E B2RXH2 6/20 0.73
NPSR1 Q6W5P4 3/20 0.73
MAPT P10636 2/20 0.73
MAPK1 P28482 1/20 0.73
HTR2A P28223 1/20 0.70
DRD3 P35462 1/20 0.70
GLA P06280 4/20 0.69
GAA P10253 4/20 0.69
TSHR P16473 3/20 0.69
HSD17B10 Q99714 3/20 0.69
ALDH1A1 P00352 3/20 0.69
LMNA P02545 3/20 0.69
HPGD P15428 3/20 0.69
THRB P10828 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
PDE4A P27815 1/20 0.68
PDE4B Q07343 1/20 0.68
PDE4C Q08493 1/20 0.68

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
SCHEMBL2592377 1.00 PDE5A (0.77) PDE5AHRH4KDM4ENPSR1MAPT
SCHEMBL3643346 0.99 PDE5A (0.79) PDE5AHRH4KDM4ENPSR1MAPT
SCHEMBL3644763 0.91 PDE5A (0.65) PDE5AHRH4KDM4ENPSR1MAPT
SCHEMBL3644267 0.91 KDM4E (0.66) PDE5AHRH4KDM4ENPSR1MAPT
SCHEMBL3640595 0.91 PDE5A (0.69) PDE5AHRH4KDM4ENPSR1MAPT
SCHEMBL3641690 0.91 CTNNB1 (0.76) PDE5AHRH4KDM4ENPSR1MAPT
SCHEMBL3639927 0.90 CTNNB1 (0.76) PDE5AHRH4KDM4ENPSR1MAPT
SCHEMBL3642524 0.90 KDM4E (0.67) PDE5AHRH4KDM4ENPSR1MAPT
SCHEMBL3643245 0.89 PDE5A (0.63) PDE5AHRH4KDM4ENPSR1MAPT
SCHEMBL3639826 0.89 PDE5A (0.93) PDE5AHRH4KDM4ENPSR1MAPT

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 PDE5A 2048/4885HRH4 360/4885KDM4E 3866/4885

“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.