SCHEMBL8095674

SCHEMBL8095674

CNc1ccc(NC)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 2/20 0.33
PRKCI P41743 1/20 0.33
HCAR3 P49019 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL18461006 0.88 IDO1 (0.33) IDO1KDM4EMAPTALDH1A1HSD17B10
Iodide SCHEMBL28621234 0.86 IDO1 (0.32) IDO1KDM4EMAPTALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL28645887 0.86 IDO1 (0.32) IDO1KDM4EMAPTALDH1A1HSD17B10
SCHEMBL2275519 0.84 IDO1 (0.31) IDO1KDM4EMAPTALDH1A1HSD17B10
SCHEMBL22792410 0.84 FABP3 (0.33) IDO1KDM4EMAPTALDH1A1HSD17B10
SCHEMBL849668 0.84 IDO1 (0.31) IDO1KDM4EMAPTALDH1A1HSD17B10
SCHEMBL12582085 0.84 IDO1 (0.50) IDO1KDM4EMAPTALDH1A1TDP1
SCHEMBL9801566 0.80 MAPT (0.46) IDO1KDM4EMAPTALDH1A1HSD17B10
SCHEMBL12702785 0.80 APP (0.42) MAPTALDH1A1TDP1L3MBTL1USP2
SCHEMBL10557748 0.78 IDO1 (0.32) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7777063-B2 Organosilicon compounds their preparation and their use EVONIK DEGUSSA GMBH (DE) 2010-08-17 US disclosed
US-7777063-B2 Organosilicon compounds their preparation and their use EVONIK DEGUSSA GMBH (DE) 2010-08-17 US disclosed
US-20070066760-A1 Organosilicon compounds their preparation and their use DEGUSSA AG (DE) 2007-03-22 US disclosed
US-20070066760-A1 Organosilicon compounds their preparation and their use DEGUSSA AG (DE) 2007-03-22 US disclosed
EP-1056874-A1 CONVERSION AND REMOVAL OF STEROID GLYCOALKALOIDS Coöperatieve Verkoop- en Productievereniging van Aardappelmeel en Derivaten 'AVEBE' B.A. (NL) 2000-12-06 EP disclosed
WO-1999043837-A1 CONVERSION AND REMOVAL OF STEROID GLYCOALKALOIDS COÖPERATIEVE VERKOOP- EN PRODUCTIEVERENIGING VAN AARDAPPELMEEL EN DERIVATEN AVEBE B.A. (NL) 1999-09-02 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-20070066760-A1 Organosilicon compounds their preparation and their use MSH6, MCM6, SI IDO1 2289/4885KDM4E 2034/4885MAPT 1545/4885

“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.