SCHEMBL279972

SCHEMBL279972

Cc1cccc(C(=O)NC2CCNCC2)c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.74
RAB9A P51151 1/20 0.74
KHK P50053 1/20 0.60
CYP2C19 P33261 1/20 0.58
CTDSP1 Q9GZU7 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 1/20 0.57
USP2 O75604 1/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.54
GRM5 P41594 1/20 0.53
MCHR1 Q99705 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
SMYD3 Q9H7B4 1/20 0.52

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 SCHEMBL28155978 0.99 NPC1 (0.72) NPC1RAB9AKHKCYP2C19CTDSP1
SCHEMBL20273929 0.92 NPC1 (0.66) NPC1RAB9AKHKCYP2C19CTDSP1
Hydrochloric Acid SCHEMBL28155961 0.90 NPC1 (0.64) NPC1RAB9AKHKCYP2C19CTDSP1
Hydrochloric Acid SCHEMBL28155962 0.90 NPC1 (0.64) NPC1RAB9AKHKCYP2C19CTDSP1
Hydrochloric Acid SCHEMBL28156649 0.90 NPC1 (0.64) NPC1RAB9AKHKCYP2C19CTDSP1
SCHEMBL11806 0.89 NPC1 (0.85) NPC1RAB9ACYP2C19CTDSP1TDP1
SCHEMBL14460307 0.86 RAB9A (0.97) NPC1RAB9ACYP2C19CTDSP1TDP1
SCHEMBL23573449 0.85 NPC1 (0.78) NPC1RAB9ACYP2C19CTDSP1TDP1
SCHEMBL23573447 0.85 NPC1 (0.78) NPC1RAB9ACYP2C19CTDSP1TDP1
SCHEMBL5666371 0.85 RAB9A (1.00) NPC1RAB9ACYP2C19CTDSP1TDP1

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
EP-3336091-A1 IRAK4 INHIBITOR AND USE THEREOF Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2018-06-20 EP disclosed
US-9433622-B2 Pyrimidine compounds useful in the treatment of diseases mediated by IKKE and/or TBK1 mechanisms CASE WESTERN RESERVE UNIVERSITY (US) 2016-09-06 US disclosed
US-20160000784-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS DOMAINEX LIMITED (GB) 2016-01-07 US disclosed
US-8134013-B2 Amide compound and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-13 US disclosed
US-8134013-B2 Amide compound and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-13 US disclosed
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 US disclosed
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 US disclosed
EP-1845090-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2007-10-17 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 (2 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-20160000784-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS TBK1, TBKBP1, TYMS NPC1 2505/4885RAB9A 1112/4885KHK 166/4885
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, PTAFR, MPL NPC1 3107/4885RAB9A 2458/4885KHK 3624/4885

“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.