SCHEMBL4846941

SCHEMBL4846941

O=c1sc2ccccc2n1CCl

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.69
KDM4E B2RXH2 1/20 0.69
PKM P14618 1/20 0.69
MAPK1 P28482 3/20 0.58
TSHR P16473 2/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 1/20 0.56
ALPG P10696 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
NPC1 O15118 1/20 0.55

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
SCHEMBL2149244 0.85 L3MBTL1 (0.65) L3MBTL1KDM4EPKMMAPK1TSHR
SCHEMBL11350777 0.82 L3MBTL1 (0.66) L3MBTL1KDM4EPKMMAPK1TSHR
SCHEMBL318427 0.82 L3MBTL1 (0.68) L3MBTL1KDM4EPKMMAPK1TSHR
SCHEMBL2149688 0.82 L3MBTL1 (0.56) L3MBTL1KDM4EPKMMAPK1TSHR
SCHEMBL4095265 0.82 L3MBTL1 (0.56) L3MBTL1KDM4EPKMMAPK1TSHR
SCHEMBL2148992 0.81 CYP3A4 (0.67) L3MBTL1RAB9ASMN1; SMN2TDP1NPC1
SCHEMBL513356 0.81 L3MBTL1 (0.64) L3MBTL1KDM4EPKMMAPK1TSHR
SCHEMBL10831761 0.81 L3MBTL1 (0.64) L3MBTL1KDM4EPKMMAPK1TSHR
SCHEMBL281839 0.81 L3MBTL1 (0.64) L3MBTL1KDM4EPKMMAPK1TSHR
SCHEMBL2149958 0.80 NPC1 (0.65) L3MBTL1RAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368434-B2 Compounds useful for the inhibition of ALDH THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 2008-05-06 US disclosed
US-20080090972-A1 Oligomers and Polymers Containing Sulfinate Groups, and Methods for Producing the Same KERRES JOCHEN 2008-04-17 US disclosed
US-20080090972-A1 Oligomers and Polymers Containing Sulfinate Groups, and Methods for Producing the Same KERRES JOCHEN 2008-04-17 US disclosed
US-7288599-B2 Oligomers and polymers containing sulfinate groups, and method for producing the same KERRES JOCHEN 2007-10-30 US disclosed
US-7288599-B2 Oligomers and polymers containing sulfinate groups, and method for producing the same KERRES JOCHEN 2007-10-30 US disclosed
US-20040068003-A1 Compounds useful for the inhibition of ALDH THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC, 2004-04-08 US disclosed
US-4731451-A HERBICIDES MONSANTO COMPANY (US) 1988-03-15 US disclosed
US-4578477-A PLANT GROWTH REGULATORS MONSANTO COMPANY (US) 1986-03-25 US disclosed
US-4427436-A PLANT GROWTH REGULATORS MONSANTO COMPANY (US) 1984-01-24 US disclosed
EP-0007161-B1 NOVEL N-SUBSTITUTED 2-OXO-3-BENZOTHIAZOLINE DERIVATIVES, THEIR USE AS LEGUMINOUS PLANT GROWTH REGULANTS, AND PLANT GROWTH REGULATING COMPOSITIONS CONTAINING SAID DERIVATIVES AS THE ACTIVE INGREDIENTS MONSANTO COMPANY (US) 1981-10-21 EP disclosed
US-4258196-A REACTING THE ANION OF A PRIMARY OR SECONDARY 2-HALOACETAMIDE WITH AN ALKYLATING AGENT MONSANTO COMPANY (US) 1981-03-24 US disclosed
US-4227915-A N-Substituted oxobenzothiazoline and oxobenzoxazoline derivatives and their use as plant growth regulants MONSANTO COMPANY (US) 1980-10-14 US disclosed
EP-0007161-A1 Novel N-substituted 2-oxo-3-benzothiazoline derivatives, their use as leguminous plant growth regulants, and plant growth regulating compositions containing said derivatives as the active ingredients MONSANTO COMPANY (US) 1980-01-23 EP 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-20040068003-A1 Compounds useful for the inhibition of ALDH ALDH2, ALDH1A1, ALDH3A1 L3MBTL1 3567/4885KDM4E 1630/4885PKM 2128/4885

“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.