SCHEMBL694755

SCHEMBL694755

Fc1ccc(-c2[c]cccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.34
PTGS2 P35354 2/20 0.33
PTGS1 P23219 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33

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
SCHEMBL7815345 0.92 NFE2L2 (0.33) ACHEPTGS2PTGS1GABRPGABRD
SCHEMBL25097 0.81 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1BCL2L1
SCHEMBL769959 0.81 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1BCL2L1
SCHEMBL769634 0.81 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1BCL2L1
SCHEMBL41140 0.80 ALDH1A1 (0.42) NPC1RAB9AALDH1A1BCL2L1MEN1
SCHEMBL38202 0.80 ALDH1A1 (0.42) NPC1RAB9AALDH1A1BCL2L1MEN1
SCHEMBL183516 0.80 ALDH1A1 (0.35) RAB9AALDH1A1MEN1KMT2A
SCHEMBL3537375 0.80 CYP1A2 (0.33)
SCHEMBL27647876 0.78 KDM4E (0.56) KDM4EALDH1A1KMT2A
SCHEMBL67548 0.77 ACHE (0.38) ACHETNKSPARP1TNKS2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106589349-B Bi-phthalonitrile resin of main chain s-triazine structure containing triaryl and preparation method thereof 大连理工大学 2019-01-08 CN claimed
CN-105175336-B A kind of carboxamides derivatives of 3 (3,3 2 chloroallyloxyamino) 1 Phenylpyrazole 5 and preparation method thereof 南阳师范学院 2017-11-03 CN claimed
CN-105175335-B A kind of carboxamides derivatives of 3 (3,3 2 chloroallyloxyamino) 1 methylpyrazole 5 and preparation method thereof 南阳师范学院 2017-11-03 CN claimed
CN-105061396-B A kind of amide derivatives and preparation method thereof 南阳师范学院 2017-09-15 CN claimed
EP-2504324-B1 SULTAM DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-02-25 EP claimed
US-8946479-B2 Process for preparation of 4-fluoro-α-[2methyl-l-oxopropyl]-γ-oxo—N—β-diphenylbenzene butane amide VIJAYASRI ORGANICS LIMITED (IN) 2015-02-03 US claimed
US-20130184493-A1 PROCESS FOR PREPARATION OF 4-FLUORO-alpha-[2METHYL-L-OXOPROPYL]-gamma-OXO-N-beta-DIPHENYLBENZENE BUTANE AMIDE VIJAYASRI ORGANICS LIMITED (IN) 2013-07-18 US claimed
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US claimed
US-8314250-B2 Sultam derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-20 US claimed
EP-2504324-A1 SULTAM DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-03 EP claimed
US-20030236410-A1 Pharmaceutical composition containing bicyclic type compounds SMITHKLINE BEECHAM P.L.C. 2003-12-25 US claimed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO claimed
US-20020123630-A1 Pharmaceutical composition containing bicyclic type compounds SMITHKLINE BEECHAM P.L.C. 2002-09-05 US claimed
EP-0895988-B1 Arylsulfonylamino hydroxamic acid derivatives PFIZER PROD INC (US) 2002-05-22 EP claimed
US-20010021780-A1 Pharmaceutical composition containing bicyclic type compounds SMITHKLINE BEECHAM P.L.C. 2001-09-13 US claimed
US-6107337-A ANTIARTHRITIC AGENTS; ANTICARCINOGENIC AGENTS PFIZER INC. (US) 2000-08-22 US claimed
EP-0895988-A1 Arylsulfonylamino hydroxamic acid derivatives Pfizer Products Inc. (US) 1999-02-10 EP claimed
EP-0673374-A1 PHARMACEUTICAL COMPOSITION CONTAINING BICYCLIC TYPE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1995-09-27 EP claimed
WO-1994013657-A1 PHARMACEUTICAL COMPOSITION CONTAINING BICYCLIC TYPE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1994-06-23 WO claimed
US-5110959-A PROCESS FOR PREPARATION OF EPOXY ESTERS AND INTERMEDIATES PREPARED THEREBY SMITHKLINE BECKMAN CORP. (US) 1992-05-05 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20030236410-A1 Pharmaceutical composition containing bicyclic type compounds CLIC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2B6 ACHE 4078/4885PTGS2 2521/4885PTGS1 1127/4885
US-20130184493-A1 PROCESS FOR PREPARATION OF 4-FLUORO-alpha-[2METHYL-L-OXOPROPYL]-gamma-OXO-N-beta-DIPHENYLBENZENE BUTANE AMIDE BCKDK, FNTB, HMGCR ACHE 1957/4885PTGS2 2093/4885PTGS1 2114/4885
US-20010021780-A1 Pharmaceutical composition containing bicyclic type compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CLIC1, NAF1 ACHE 4121/4885PTGS2 2145/4885PTGS1 925/4885
US-20020123630-A1 Pharmaceutical composition containing bicyclic type compounds CLIC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CFH ACHE 4050/4885PTGS2 2555/4885PTGS1 1191/4885

“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.