SCHEMBL10192175

SCHEMBL10192175

CCCNC(=O)Nc1ccc(C)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
NPC1 O15118 4/20 0.64
ALDH1A1 P00352 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
CNR1 P21554 1/20 0.60
CASR P41180 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
MAPT P10636 1/20 0.57
RAB9A P51151 4/20 0.55
POLB P06746 1/20 0.55
EPHX1 P07099 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 1/20 0.54
TP53 P04637 1/20 0.54
HPGD P15428 1/20 0.54

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
SCHEMBL8790471 0.89 ALDH1A1 (0.66) KMT2ANPC1ALDH1A1CYP1A2CYP2C19
SCHEMBL9418797 0.86 EPHX1 (0.74) NPC1ALDH1A1CYP1A2CYP2C19CYP3A4
SCHEMBL21504843 0.86 EPHX1 (0.74) NPC1ALDH1A1CYP1A2CYP2C19CYP3A4
SCHEMBL25517517 0.86 EPHX1 (0.74) NPC1ALDH1A1CYP1A2CYP2C19CYP3A4
SCHEMBL12994639 0.85 NPC1 (0.64) MEN1KMT2ANPC1ALDH1A1CYP1A2
SCHEMBL14423986 0.85 MAPT (0.76) MEN1KMT2ANPC1ALDH1A1CYP1A2
SCHEMBL14423994 0.85 KMT2A (0.66) MEN1KMT2ANPC1ALDH1A1CYP1A2
SCHEMBL8803832 0.85 KMT2A (0.66) MEN1KMT2ANPC1ALDH1A1CYP1A2
SCHEMBL5851707 0.85 NPC1 (0.68) MEN1KMT2ANPC1ALDH1A1CYP1A2
SCHEMBL16378810 0.84 NAMPT (0.67) MEN1KMT2ANPC1ALDH1A1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309283-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-04-12 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-20090048186-A1 Monosaccharide Derivatives as Anti-Inflammatory and/or Anti-Cancer Agents RANBAXY LABORATORIES LIMITED (IN) 2009-02-19 US disclosed
US-20090048186-A1 Monosaccharide Derivatives as Anti-Inflammatory and/or Anti-Cancer Agents RANBAXY LABORATORIES LIMITED (IN) 2009-02-19 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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 (6 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 MEN1 4550/4885KMT2A 1335/4885NPC1 2173/4885
US-20090048186-A1 Monosaccharide Derivatives as Anti-Inflammatory and/or Anti-Cancer Agents HLA-DRB1, MUC1, ASGR1 MEN1 1410/4885KMT2A 4199/4885NPC1 804/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS MEN1 4825/4885KMT2A 4617/4885NPC1 48/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS MEN1 4815/4885KMT2A 3974/4885NPC1 297/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS MEN1 4800/4885KMT2A 4464/4885NPC1 87/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS MEN1 4800/4885KMT2A 4464/4885NPC1 87/4885

“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.