SCHEMBL1342161

SCHEMBL1342161

Nc1cc(Cl)ccc1C(=O)c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ MAPT P10636 1/20 0.56
▸ RECQL P46063 1/20 0.55
▸ ABL1 P00519 1/20 0.49
▸ KCNMA1 Q12791 1/20 0.48
▸ ALOX15 P16050 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ FADS1 O60427 1/20 0.43
▸ GRIK1 P39086 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ LMNA P02545 1/20 0.42

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
SCHEMBL29963527 1.00 ALDH1A1 (0.56) ALDH1A1MAPTRECQLABL1KCNMA1
SCHEMBL29515875 0.89 RECQL (0.71) ALDH1A1MAPTRECQLKCNMA1ALOX15
SCHEMBL29858361 0.89 RECQL (0.71) ALDH1A1MAPTRECQLKCNMA1ALOX15
SCHEMBL333224 0.89 RECQL (0.71) ALDH1A1MAPTRECQLKCNMA1ALOX15
SCHEMBL8296814 0.83 RECQL (0.78) ALDH1A1MAPTRECQLABL1RAB9A
SCHEMBL611947 0.83 RECQL (0.54) ALDH1A1MAPTRECQLKCNMA1ALOX15
SCHEMBL2704116 0.83 ALDH1A1 (0.59) ALDH1A1MAPTRECQLKCNMA1ALOX15
SCHEMBL2705467 0.83 ALDH1A1 (0.59) ALDH1A1MAPTALOX15SMN1; SMN2CES2
SCHEMBL5282720 0.81 MAPT (0.59) ALDH1A1MAPTRECQLALOX15TDP1
SCHEMBL29664874 0.81 MAPT (0.59) ALDH1A1MAPTRECQLALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805133-A Aryl chloroformate preparation method 苏州星日化学有限公司 2022-07-29 — — CN disclosed
US-11021448-B2 1,3-dihydro-1,4-benzodiazepine-2-thiones for the treatment of CNS related diseases HOFFMANN-LA ROCHE INC. (US) 2021-06-01 — — US disclosed
US-11021448-B2 1,3-dihydro-1,4-benzodiazepine-2-thiones for the treatment of CNS related diseases HOFFMANN-LA ROCHE INC. (US) 2021-06-01 — — US disclosed
EP-3535253-A1 1,3-DIHYDRO-1,4-BENZODIAZEPINE-2-THIONES FOR THE TREATMENT OF CNS RELATED DISEASES H. Hoffnabb-La Roche Ag (CH) 2019-09-11 — — EP disclosed
US-20190256478-A1 1,3-DIHYDRO-1,4-BENZODIAZEPINE-2-THIONES FOR THE TREATMENT OF CNS RELATED DISEASES HOFFMANN-LA ROCHE INC. (US) 2019-08-22 — — US disclosed
US-20190256478-A1 1,3-DIHYDRO-1,4-BENZODIAZEPINE-2-THIONES FOR THE TREATMENT OF CNS RELATED DISEASES HOFFMANN-LA ROCHE INC. (US) 2019-08-22 — — US disclosed
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 — — US disclosed
EP-2773619-B1 NEW ARYL-QUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-11-16 — — EP disclosed
US-20160060270-A1 New Aryl-Quinoline Derivatives HOFFMANN-LA ROCHE INC. 2016-03-03 — — US disclosed
US-9199938-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2015-12-01 — — US disclosed
US-7384967-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-06-10 — — US disclosed
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-05-22 — — US disclosed
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-05-22 — — US disclosed
CN-101130526-A Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK AS (DK) 2008-02-27 — — CN disclosed
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2006-08-17 — — US disclosed
CN-1678311-A Arylcarbonyl derivatives useful as therapeutic agents NOVO NORDISK AS (DK) 2005-10-05 — — CN disclosed
EP-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 — — EP disclosed
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 — — US disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 — — WO disclosed
US-5532374-A Method of preparation of bis-quinolines HITACHI CHEMICAL COMPANY, LTD. (JP) 1996-07-02 — — 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 (7 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-20160060270-A1 New Aryl-Quinoline Derivatives FABP1, FABP4, FABP5 ALDH1A1 851/4885MAPT 4259/4885RECQL 613/4885
US-11021448-B2 1,3-dihydro-1,4-benzodiazepine-2-thiones for the treatment of CNS related diseases CHRM1, CHRM2, CHRM4 ALDH1A1 1148/4885MAPT 306/4885RECQL 3666/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885MAPT 2678/4885RECQL 3548/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 ALDH1A1 148/4885MAPT 2678/4885RECQL 3713/4885
US-20190256478-A1 1,3-DIHYDRO-1,4-BENZODIAZEPINE-2-THIONES FOR THE TREATMENT OF CNS RELATED DISEASES CHRM1, CHRM2, CHRM4 ALDH1A1 1148/4885MAPT 306/4885RECQL 3666/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885MAPT 2678/4885RECQL 3548/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885MAPT 2678/4885RECQL 3548/4885

“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.

Send feedback