SCHEMBL1092285

SCHEMBL1092285

c1ccc(CNc2nc(N3CCCCC3)c3ccccc3n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.65
KDM4E B2RXH2 4/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
ATM Q13315 2/20 0.60
MAPK1 P28482 2/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
TSHR P16473 2/20 0.58
HSD17B10 Q99714 2/20 0.58
GAA P10253 2/20 0.58
HPGD P15428 2/20 0.58
GLA P06280 1/20 0.58
KMT2A Q03164 6/20 0.56
LMNA P02545 6/20 0.56
MAPT P10636 5/20 0.56
MEN1 O00255 4/20 0.56
RAD52 P43351 2/20 0.56
RECQL P46063 2/20 0.56
POLB P06746 2/20 0.56
TP53 P04637 1/20 0.56
ALOX15 P16050 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
SCHEMBL1090783 1.00 MRGPRX1 (0.65) MRGPRX1KDM4EL3MBTL1ATMMAPK1
SCHEMBL1090716 1.00 MRGPRX1 (0.65) MRGPRX1KDM4EL3MBTL1ATMMAPK1
SCHEMBL1090790 0.99 MRGPRX1 (0.66) MRGPRX1KDM4EL3MBTL1ATMMAPK1
SCHEMBL3636984 0.91 MRGPRX1 (0.79) MRGPRX1KDM4EL3MBTL1ATMMAPK1
SCHEMBL3637654 0.91 MRGPRX1 (0.61) MRGPRX1KDM4EL3MBTL1ATMMAPK1
Hydrochloric Acid SCHEMBL3643496 0.90 MRGPRX1 (0.77) MRGPRX1KDM4EL3MBTL1ATMMAPK1
Hydrochloric Acid SCHEMBL3638859 0.90 MRGPRX1 (0.60) MRGPRX1KDM4EL3MBTL1ATMMAPK1
SCHEMBL1091301 0.88 MRGPRX1 (0.82) MRGPRX1KDM4EL3MBTL1ATMMAPK1
SCHEMBL1091455 0.88 MRGPRX1 (0.82) MRGPRX1KDM4EL3MBTL1ATMMAPK1
SCHEMBL1091354 0.88 MRGPRX1 (0.82) MRGPRX1KDM4EL3MBTL1ATMMAPK1

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 12 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-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-8153625-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-10 US disclosed
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 US disclosed
US-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-02 US disclosed
CN-101784276-A Use of compounds for the preparation of antituberculosis agents SUMMIT CORP PLC 2010-07-21 CN disclosed
US-7759336-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-20 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
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-19 US disclosed
EP-1571146-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-09-07 EP 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 (4 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-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 MRGPRX1 237/4885KDM4E 2001/4885L3MBTL1 2480/4885
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS TPX2, DCXR, RRM2 MRGPRX1 18/4885KDM4E 3866/4885L3MBTL1 3143/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 MRGPRX1 237/4885KDM4E 2001/4885L3MBTL1 2480/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 MRGPRX1 237/4885KDM4E 2001/4885L3MBTL1 2480/4885

“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.