SCHEMBL4799749

SCHEMBL4799749

COc1ccc(-c2ccccc2)nc1C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 3/20 0.51
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 5/20 0.45
TSHR P16473 3/20 0.45
HPGD P15428 2/20 0.45
ATM Q13315 2/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.43
NPC1 O15118 3/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL5408629 0.80 CYP1A1 (0.43) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL28133225 0.77 ALDH1A1 (0.46) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL12539439 0.74 TRPV3 (0.53) KMT2AHPGDHTTHSD17B10SMN1; SMN2
SCHEMBL25228023 0.74 TDO2 (0.55) TDO2MEN1KMT2AALDH1A1KDM4E
SCHEMBL30772447 0.73 SQOR (0.49) TDO2MEN1KMT2AALDH1A1KDM4E
SCHEMBL4799732 0.73 SQOR (0.49) TDO2MEN1KMT2AALDH1A1KDM4E
SCHEMBL9846087 0.73 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRHPGDSMN1; SMN2
SCHEMBL4980644 0.73 ERN1 (0.46) KMT2AALDH1A1KDM4ETSHRHPGD
SCHEMBL4799769 0.72 TDO2 (0.54) TDO2MEN1KMT2AALDH1A1KDM4E
SCHEMBL3464851 0.72 ERN1 (0.43) ALDH1A1KDM4ETSHRHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730203-B1 CATALYST COMPOSITION AND USE THEREOF EXXONMOBIL CHEM PATENTS INC (US) 2008-12-31 EP disclosed
US-7423101-B2 Catalyst composition and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-09-09 US disclosed
US-20080071047-A1 Catalyst Composition And Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2008-03-20 US disclosed
US-7317057-B2 Catalyst composition and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-01-08 US disclosed
EP-1730203-A1 CATALYST COMPOSITION AND USE THEREOF ExxonMobil Chemical Patents, Inc., A Corporation of the State of Delaware (US) 2006-12-13 EP disclosed
WO-2005095469-A1 CATALYST COMPOSITION AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-10-13 WO disclosed
US-20050209420-A1 Catalyst composition and use thereof EXXONMOBIL CHEMICAL PATENTS INC. 2005-09-22 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-20050209420-A1 Catalyst composition and use thereof DGAT1, DGAT2, ALOX5 TDO2 365/4885MEN1 2901/4885KMT2A 3146/4885

“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.