SCHEMBL3138296

SCHEMBL3138296

COc1cc([Mg]Br)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.37
LMNA P02545 2/20 0.36
GRM4 Q14833 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NFE2L2 Q16236 1/20 0.35
BACE1 P56817 2/20 0.35
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
PAX8 Q06710 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL929959 0.84 RAB9A (0.46) LMNAALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL30883901 0.84 RAB9A (0.46) LMNAALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL1021384 0.81 CA2 (0.48) ALDH1A1MAPK1
SCHEMBL3151542 0.79 HTT (0.45) LMNAALDH1A1HTTGAAHPGD
SCHEMBL28996996 0.78 ACHE (0.35) GRM4ALDH1A1
SCHEMBL3151764 0.77 EPHX2 (0.36)
SCHEMBL1021627 0.76 L3MBTL1 (0.41) GRM4ALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL9318464 0.74 L3MBTL1 (0.38) LMNA
SCHEMBL1021779 0.73 ALOX15 (0.42) LMNAALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL667921 0.73 CES2 (0.36) NFE2L2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3262057-B1 SUBSTITUTED NUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2020-04-15 EP disclosed
US-10428104-B2 Substituted nucleoside derivatives useful as anticancer agents PFIZER INC. (US) 2019-10-01 US disclosed
EP-3262057-A1 SUBSTITUTED NUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Inc (US) 2018-01-03 EP disclosed
WO-2016135582-A1 SUBSTITUTED NUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2016-09-01 WO disclosed
US-20160244475-A1 SUBSTITUTED NUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2016-08-25 US disclosed
US-20100004289-A1 SUBSTITUTED BUTYROPHENONE DERIVATIVES CLERA INC. (CA) 2010-01-07 US disclosed
EP-1874730-A4 SUBSTITUTED BUTYROPHENONE DERIVATIVES CLERA INC (CA) 2009-06-10 EP disclosed
EP-1874730-A1 SUBSTITUTED BUTYROPHENONE DERIVATIVES Clera Inc. (CA) 2008-01-09 EP disclosed
WO-2006116848-A1 SUBSTITUTED BUTYROPHENONE DERIVATIVES CLERA INC. (CA) 2006-11-09 WO disclosed
US-6599920-B2 Antiestrogenic compound having fewer or no estrogen agonist properties on reproductive tissues ELI LILLY AND COMPANY 2003-07-29 US disclosed
EP-0826670-B1 Naphthalene compounds, intermediates, formulations, and methods LILLY CO ELI (US) 2002-05-08 EP disclosed
EP-0826680-B1 Dihydronaphthalene and naphthalene compounds, intermediates, formulations, and methods of preparation thereof. LILLY CO ELI (US) 2001-10-24 EP disclosed
US-6020513-A BONE DISORDERS ELI LILLY AND COMPANY (US) 2000-02-01 US disclosed
US-5958916-A FOR INHIBITING BONE LOSS OR BONE RESORPTION ELI LILLY AND COMPANY (US) 1999-09-28 US disclosed
EP-0826680-A1 Dihydronaphthalene and naphthalene compounds, intermediates, formulations, and methods ELI LILLY AND COMPANY (US) 1998-03-04 EP disclosed
EP-0826670-A1 Naphthalene compounds, intermediates, formulations, and methods ELI LILLY AND COMPANY (US) 1998-03-04 EP disclosed
EP-0175452-B1 1,3-DISUBSTITUTED PIPERIDINE COMPOUNDS AS NEUROLEPTIC AGENTS PFIZER INC. (US) 1988-09-21 EP disclosed
US-4623728-A NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1986-11-18 US disclosed
US-4593037-A Compound substituted with phenyl rings PFIZER INC. (US) 1986-06-03 US disclosed
EP-0175452-A1 1,3-Disubstituted piperidine compounds as neuroleptic agents PFIZER INC. (US) 1986-03-26 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 (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-10428104-B2 Substituted nucleoside derivatives useful as anticancer agents TYMP, NME1, DPYD AMY1A 3989/4885LMNA 599/4885GRM4 4239/4885
US-20160244475-A1 SUBSTITUTED NUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS TYMP, NME1, PNP AMY1A 3413/4885LMNA 678/4885GRM4 4572/4885
US-20100004289-A1 SUBSTITUTED BUTYROPHENONE DERIVATIVES DBH, SLC6A3, GABBR1 AMY1A 3721/4885LMNA 4739/4885GRM4 90/4885

“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.