SCHEMBL427205

SCHEMBL427205

CN(C(=O)n1ccnc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP24A1 Q07973 1/20 0.42
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
LIPE Q05469 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL467007 0.83 LMNA (0.53) KDM4EKMT2ASMN1; SMN2L3MBTL1CYP3A4
SCHEMBL5651399 0.81 ALDH1A1 (0.53) KDM4EKMT2ATSHRCYP24A1FAAH
SCHEMBL11654610 0.78 KDM4E (0.43) KDM4EKMT2ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL5648204 0.77 CYP1A2 (0.51) KMT2ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1119676 0.76 LMNA (0.46) KMT2ASMN1; SMN2L3MBTL1CYP3A4CYP2D6
SCHEMBL8045233 0.75 HTT (0.39) CYP1A2CYP3A4CYP2D6CYP24A1LMNA
SCHEMBL5648727 0.74 KMT2A (0.49) KDM4EKMT2ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL534328 0.74 NPY5R (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL534346 0.74 NPY5R (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22649376 0.73 CYP24A1 (0.36) CYP24A1FAAHMGLLLMNA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-8835095-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-16 US disclosed
US-8835095-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-16 US disclosed
US-8778594-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-15 US disclosed
US-8778594-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-15 US disclosed
US-20130022915-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-24 US disclosed
US-20130022915-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-24 US disclosed
US-20120219905-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-30 US disclosed
US-20120219905-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-30 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 KDM4E 1982/4885KMT2A 2067/4885SMN1; SMN2 2818/4885

“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.