SCHEMBL16566898

SCHEMBL16566898

O=C(c1ccccc1Br)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ F2R P25116 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ PLA2G2D Q9UNK4 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ELANE P08246 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL29679621 1.00 CES1 (0.50) CES1SMN1; SMN2MAPK1HTTNPC1
SCHEMBL28514598 0.83 SMN1; SMN2 (0.46) CES1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2782446 0.82 PLA2G2D (0.41) CES1SMN1; SMN2MAPK1HTTALDH1A1
SCHEMBL29857544 0.78 ALDH1A1 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL26054307 0.78 NPC1 (0.45) SMN1; SMN2HTTNPC1RAB9AALDH1A1
SCHEMBL14215786 0.78 MAPT (0.56) CES1MAPK1HTTALDH1A1LMNA
SCHEMBL17441862 0.76 MAPK1 (0.49) CES1MAPK1HTTALDH1A1LMNA
SCHEMBL361933 0.76 CES1 (0.60) CES1SMN1; SMN2MAPK1HTTNPC1
SCHEMBL7630857 0.76 KDM4E (0.54) CES1SMN1; SMN2MAPK1HTTNPC1
SCHEMBL1791035 0.76 ALDH1A1 (0.64) CES1SMN1; SMN2MAPK1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024046712-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-03-07 — — WO claimed
CN-108912020-A Ao Dangka is replaced and its preparation method of intermediate 上海博志研新药物技术有限公司 2018-11-30 — — CN claimed
CN-108250109-A A kind of synthetic method of substituted biphenyl compound 苏州科伦药物研究有限公司 2018-07-06 — — CN claimed
CN-105175583-B Acetophenones light trigger, preparation method and applications of one class with biphenyl as conjugated structure 同济大学 2017-06-13 — — CN claimed
US-20260034094-A1 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS KOJIN THERAPEUTICS INC (US) 2026-02-05 — — US disclosed
US-20250340516-A1 Isoquinolinones as Modulators of POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-11-06 — — US disclosed
WO-2024046712-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-03-07 — — WO disclosed
US-20240059689-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS MEDIVIR AB (SE) 2024-02-22 — — US disclosed
EP-4308566-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS Tango Therapeutics, Inc. (US) 2024-01-24 — — EP disclosed
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 — — US disclosed
WO-2022197892-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS TANGO THERAPEUTICS, INC. (US) 2022-09-22 — — WO disclosed
US-11440892-B2 Substituted dihydrobenzoxazinones, dihydroquinolones, and methods of their use and synthesis NORTHWESTERN UNIVERSITY (US) 2022-09-13 — — US disclosed
US-9750740-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors Kanos Pharmaceuticals, Inc. (US) 2017-09-05 — — US disclosed
CN-105175583-B Acetophenones light trigger, preparation method and applications of one class with biphenyl as conjugated structure 同济大学 2017-06-13 — — CN disclosed
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2017-04-06 — — US disclosed
CN-105153329-B Acetophenone type photoinitiators using fluorene as conjugated structure as well as preparation method and application of acetophenone type photoinitiators 同济大学 2017-03-22 — — CN disclosed
US-9512122-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors KAROS PHARMACEUTICALS, INC. (US) 2016-12-06 — — US disclosed
US-20160096836-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2016-04-07 — — US disclosed
US-9199994-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors KAROS PHARMACEUTICALS, INC. (US) 2015-12-01 — — US disclosed
US-20150080393-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2015-03-19 — — 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 (8 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-20240059689-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS RRM2, TYMP, PNP CES1 1932/4885SMN1; SMN2 1505/4885MAPK1 1856/4885
US-20150080393-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CES1 495/4885SMN1; SMN2 3998/4885MAPK1 1325/4885
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CES1 495/4885SMN1; SMN2 3998/4885MAPK1 1325/4885
US-20160096836-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CES1 495/4885SMN1; SMN2 3998/4885MAPK1 1325/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CES1 495/4885SMN1; SMN2 3998/4885MAPK1 1325/4885
US-20250340516-A1 Isoquinolinones as Modulators of POLRMT POLRMT, TFAM, UQCRC1 CES1 1363/4885SMN1; SMN2 2390/4885MAPK1 3713/4885
US-20260034094-A1 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS AIFM2, GPX4, HMOX1 CES1 2029/4885SMN1; SMN2 2828/4885MAPK1 2734/4885
US-11440892-B2 Substituted dihydrobenzoxazinones, dihydroquinolones, and methods of their use and synthesis NQO1, DHPS, NQO2 CES1 1436/4885SMN1; SMN2 3673/4885MAPK1 4140/4885

“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.

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