SCHEMBL3636286

SCHEMBL3636286

c1ccc2c(NC3C4CC5CC(C4)CC3C5)nc(N3CCOCC3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 1.00
ALDH1A1 P00352 7/20 1.00
NPSR1 Q6W5P4 2/20 1.00
LMNA P02545 1/20 1.00
HTT P42858 1/20 1.00
RECQL P46063 1/20 1.00
PDE5A O76074 1/20 0.58
HTR2A P28223 2/20 0.57
GAA P10253 5/20 0.56
GLA P06280 4/20 0.56
HPGD P15428 2/20 0.53
HSD17B10 Q99714 1/20 0.53
KMT2A Q03164 1/20 0.53
CCR4 P51679 1/20 0.47
HTR3A P46098 1/20 0.45
DNMT3A Q9Y6K1 1/20 0.44
MAPT P10636 1/20 0.44
HRH4 Q9H3N8 1/20 0.44

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
SCHEMBL3643096 0.88 KDM4E (0.79) KDM4EALDH1A1NPSR1LMNAHTT
SCHEMBL27808555 0.81 KDM4E (0.69) KDM4EALDH1A1NPSR1LMNAHTT
SCHEMBL3636285 0.79 KDM4E (0.74) KDM4EALDH1A1NPSR1LMNAHTT
SCHEMBL30896243 0.79 CCR4 (0.73) KDM4EALDH1A1NPSR1LMNAHTT
SCHEMBL11743074 0.79 CCR4 (0.73) KDM4EALDH1A1NPSR1LMNAHTT
Hydrochloric Acid SCHEMBL11772393 0.78 KDM4E (0.72) KDM4EALDH1A1NPSR1LMNAHTT
SCHEMBL3639295 0.75 HTT (0.59) KDM4EALDH1A1NPSR1LMNAHTT
SCHEMBL14941378 0.73 DNMT3A (0.68) KDM4EALDH1A1NPSR1LMNAHTT
SCHEMBL2592612 0.73 PDE5A (1.00) KDM4EALDH1A1NPSR1LMNAHTT
SCHEMBL2590824 0.73 HTR2A (0.84) KDM4EALDH1A1NPSR1LMNAHTT

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 KDM4E 3866/4885ALDH1A1 2522/4885NPSR1 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.