SCHEMBL6448836

SCHEMBL6448836

ON=Cc1cc(Br)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.61
ERN1 O75460 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 2/20 0.57
KMT2A Q03164 7/20 0.56
KDM4E B2RXH2 6/20 0.56
GAA P10253 4/20 0.56
MAPT P10636 7/20 0.55
CASP7 P55210 2/20 0.54
HPGD P15428 5/20 0.53
TSHR P16473 1/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 4/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 2/20 0.49

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
SCHEMBL30640070 1.00 CASP1 (0.61) CASP1ERN1SMN1; SMN2LMNAKMT2A
SCHEMBL6448832 1.00 CASP1 (0.61) CASP1ERN1SMN1; SMN2LMNAKMT2A
SCHEMBL6822831 1.00 CASP1 (0.61) CASP1ERN1SMN1; SMN2LMNAKMT2A
SCHEMBL4258545 0.82 CASP1 (0.59) CASP1ERN1SMN1; SMN2LMNAKMT2A
SCHEMBL4346774 0.80 CASP1 (0.62) CASP1ERN1SMN1; SMN2LMNAKMT2A
SCHEMBL4346769 0.80 CASP1 (0.62) CASP1ERN1SMN1; SMN2LMNAKMT2A
Ammonia Solution, Strong SCHEMBL10609635 0.79 CASP1 (0.60) CASP1ERN1SMN1; SMN2LMNAKMT2A
SCHEMBL30495458 0.79 KMT2A (0.69) CASP1ERN1SMN1; SMN2LMNAKMT2A
SCHEMBL9316913 0.78 MAPT (0.58) SMN1; SMN2KMT2AKDM4EGAAMAPT
SCHEMBL11343000 0.78 ERN1 (0.68) CASP1ERN1SMN1; SMN2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11565995-B2 Methods of forming imines, imine-related and imine-derived compounds using green solvents THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-01-31 US disclosed
US-20210323911-A1 METHODS OF FORMING IMINES, IMINE-RELATED AND IMINE-DERIVED COMPOUNDS USING GREEN SOLVENTS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2021-10-21 US disclosed
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO disclosed
WO-2004067518-A1 SUBSTITUTED PYRIMIDINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-12 WO disclosed
US-5250486-A Catalyst comprising a manganese compound, a chelate compound, a base and an unsaturated ketone or ether; controlled molecular weight; odorless; stabile thermal properties when blended with styrene resins GENERAL ELECTRIC COMPANY (US) 1993-10-05 US disclosed
EP-0491190-A2 Polyphenylene ether process and resin composition GENERAL ELECTRIC COMPANY (US) 1992-06-24 EP disclosed
US-5037943-A Oxidative coupling using alkaline catalysts system of manganese chelate and unsaturated or diketune or vinyl ether GENERAL ELECTRIC CO. (US) 1991-08-06 US disclosed
US-4584318-A FOR AGRICULTURAL CROPS FMC CORPORATION (US) 1986-04-22 US disclosed
US-3972851-A Preparation of polyphenylene oxide using a manganese(II) ortho-hydroxyarene-oxime chelate reaction promoter GENERAL ELECTRIC COMPANY (US) 1976-08-03 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 (3 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC CASP1 1486/4885ERN1 1272/4885SMN1; SMN2 4633/4885
US-20210323911-A1 METHODS OF FORMING IMINES, IMINE-RELATED AND IMINE-DERIVED COMPOUNDS USING GREEN SOLVENTS IK, LDHB, IDH3B CASP1 2555/4885ERN1 249/4885SMN1; SMN2 472/4885
US-11565995-B2 Methods of forming imines, imine-related and imine-derived compounds using green solvents IK, LDHB, IDH3B CASP1 2555/4885ERN1 249/4885SMN1; SMN2 472/4885

“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.