SCHEMBL1920569

SCHEMBL1920569

CC(C)NC(=O)c1nc[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALPL P05186 2/20 0.38
RECQL P46063 1/20 0.38
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
MLYCD O95822 1/20 0.36
CNR1 P21554 1/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRM2 P08172 1/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL21756730 0.81 NPC1 (0.52) LMNAMAPT
SCHEMBL21756726 0.81 NPC1 (0.52) LMNAMAPT
SCHEMBL21756727 0.81 NPC1 (0.52) LMNAMAPT
SCHEMBL31469580 0.78 HTT (0.49) SMN1; SMN2ADORA2AALPLCNR1LMNA
SCHEMBL23881925 0.77 MAPT (0.50) CNR1LMNAMAPT
SCHEMBL21756731 0.77 MAPT (0.50) CNR1LMNAMAPT
SCHEMBL16383898 0.76 L3MBTL1 (0.58) SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL9089575 0.76 ALDH1A1 (0.51) SMN1; SMN2RECQLTSHRLMNAMAPT
SCHEMBL8995482 0.76
SCHEMBL15118711 0.76 FFAR1 (0.32) SMN1; SMN2RECQLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104877001-B Antifungal formulations 西尼克斯公司 2020-07-03 CN disclosed
EP-2326172-B1 ANTIFUNGAL AGENTS SCYNEXIS INC (US) 2014-10-22 EP disclosed
EP-2326172-B1 ANTIFUNGAL AGENTS SCYNEXIS INC (US) 2014-10-22 EP disclosed
US-8188085-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2012-05-29 US disclosed
US-8188085-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2012-05-29 US disclosed
US-8188085-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2012-05-29 US disclosed
CN-102176827-A Antifungal formulations MERCK SHARP & DOHME 2011-09-07 CN disclosed
EP-2326172-A1 ANTIFUNGAL AGENTS Merck Sharp & Dohme Corp. (US) 2011-06-01 EP disclosed
EP-2326181-A1 ANTIFUNGAL AGENTS Merck Sharp & Dohme Corp. (US) 2011-06-01 EP disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 US disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 US disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 US disclosed
WO-2010019203-A1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME CORP. (US) 2010-02-18 WO disclosed
WO-2010019203-A1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME CORP. (US) 2010-02-18 WO disclosed
WO-2010019204-A1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME CORP. (US) 2010-02-18 WO disclosed
WO-2010019204-A1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME CORP. (US) 2010-02-18 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-20100113439-A1 Antifungal agents GMDS, GBA3, UGGT1 SMN1; SMN2 3768/4885ADORA3 1249/4885ADORA2A 2041/4885

“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.