SCHEMBL3640644

SCHEMBL3640644

Clc1ccc(CNc2nc(N3CCCCC3)c3ccccc3n2)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.63
MAOB P27338 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ATM Q13315 2/20 0.49
MAPK1 P28482 2/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
ABCB1 P08183 1/20 0.48
GAA P10253 3/20 0.48
HPGD P15428 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GLA P06280 1/20 0.48
KMT2A Q03164 4/20 0.47
LMNA P02545 4/20 0.47
HTT P42858 4/20 0.47
NPSR1 Q6W5P4 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47

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
Hydrochloric Acid SCHEMBL3645056 0.99 MRGPRX1 (0.62) MRGPRX1MAOBL3MBTL1KDM4EATM
SCHEMBL3635918 0.91 MRGPRX1 (0.59) MRGPRX1MAOBL3MBTL1KDM4EATM
SCHEMBL3636984 0.84 MRGPRX1 (0.79) MRGPRX1MAOBL3MBTL1KDM4EATM
Hydrochloric Acid SCHEMBL3643496 0.83 MRGPRX1 (0.77) MRGPRX1MAOBL3MBTL1KDM4EATM
SCHEMBL3643018 0.81 KDM4E (0.58) L3MBTL1KDM4EATMMAPK1GAA
SCHEMBL1092285 0.80 MRGPRX1 (0.65) MRGPRX1MAOBL3MBTL1KDM4EATM
SCHEMBL1090783 0.80 MRGPRX1 (0.65) MRGPRX1MAOBL3MBTL1KDM4EATM
SCHEMBL1090716 0.80 MRGPRX1 (0.65) MRGPRX1MAOBL3MBTL1KDM4EATM
SCHEMBL14503396 0.78 GBA1 (0.51) KDM4ETSHRKMT2ALMNAHTT
SCHEMBL1090790 0.78 MRGPRX1 (0.66) MRGPRX1L3MBTL1KDM4EATMMAPK1

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
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

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 MRGPRX1 18/4885MAOB 1529/4885L3MBTL1 3143/4885

“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.