SCHEMBL5983374

SCHEMBL5983374

C#CCOc1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
MAOB P27338 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GLA P06280 1/20 0.47
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 1/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SCN4A P35499 2/20 0.44
MAOA P21397 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALOX15 P16050 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
SCHEMBL10347560 0.84 MAPT (0.56) MAPTMAOBKDM4EMAOACYP3A4
SCHEMBL30663731 0.84 MAPT (0.56) MAPTMAOBKDM4EMAOACYP3A4
SCHEMBL17759417 0.84 HTR1B (0.51) MAPTMAOBALDH1A1KDM4ESMN1; SMN2
SCHEMBL30367147 0.83 ALDH1A1 (0.48) MAPTALDH1A1GLAKDM4ETP53
SCHEMBL16774381 0.82 CYP3A4 (0.43) MAPTMAOBCYP1A2SCN4AMAOA
Hydrochloric Acid SCHEMBL21694039 0.82 MAPT (0.55) MAPTMAOBKDM4EMAOACYP3A4
SCHEMBL11572057 0.82 MAOA (0.48) MAOBALDH1A1GLAKDM4ECYP1A2
SCHEMBL8754633 0.81 ALDH1A1 (0.45) MAPTMAOBALDH1A1KDM4EMAOA
SCHEMBL19616353 0.81 MAPT (0.48) MAPTMAOBMAOATDP1CYP3A4
SCHEMBL28837210 0.81 MAOB (0.47) MAPTMAOBMAOATDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729184-A1 NOVEL AGONISTS AND ANTAGONISTS OF THE UROTENSINERGIC SYSTEM Institut National de la Recherche Scientifique (CA) 2014-05-14 EP claimed
WO-2012149644-A1 NOVEL AGONISTS AND ANTAGONISTS OF THE UROTENSINERGIC SYSTEM INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2012-11-08 WO claimed
EP-1353919-B1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA AG (CH) 2006-07-26 EP claimed
US-20230152695-A1 RESIST UNDERLAYER FILM MATERIAL, PATTERNING PROCESS, AND METHOD FOR FORMING RESIST UNDERLAYER FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed
US-10889546-B2 Alkynyl pyridine prolyl hydroxylase inhibitor, and preparation method and medical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-01-12 US disclosed
US-20200407319-A1 ALKYNYL PYRIDINE PROLYL HYDROXYLASE INHIBITOR, AND PREPARATION METHOD AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. 2020-12-31 US disclosed
CN-107848976-B Alkynyl pyridine prolyl hydroxylase inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2020-11-17 CN disclosed
EP-3360862-B1 ALKYNYL PYRIDINE PROLYL HYDROXYLASE INHIBITOR, AND PREPARATION METHOD AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2020-04-22 EP disclosed
US-20190092771-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2019-03-28 US disclosed
EP-3458463-A1 BIOORTHOGONAL COMPOUNDS COMPRISING A PROPARGYL GROUP FOR TREATING CANCER The University Court Of The University of Edinburgh (GB) 2019-03-27 EP disclosed
US-10174026-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-01-08 US disclosed
US-8022072-B2 Azolylmethylidenehydrazine derivative and use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-07-29 US disclosed
US-20020111273-A1 Dihydrobenzene pesticides SZCZEPANSKI HENRY (CH) 2002-08-15 US disclosed
EP-0907634-B1 PESTICIDES BAYER AG (DE) 2002-01-30 EP disclosed
US-6316389-B1 PEST CONTROL, IN PARTICULAR AS FUNGICIDES, ACARICIDES AND INSECTICIDES IN CROP PROTECTION. BAYER AKTIENGESELLSCHAFT (DE) 2001-11-13 US disclosed
EP-0907634-A1 PESTICIDES Novartis AG (CH) 1999-04-14 EP disclosed
WO-1997049672-A1 PESTICIDES NOVARTIS AG (CH) 1997-12-31 WO disclosed
US-4867915-A LIPOXYGENASE INHIBITORS, ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1989-09-19 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 (6 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-20190092771-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A MAPT 2739/4885MAOB 588/4885ALDH1A1 437/4885
US-10889546-B2 Alkynyl pyridine prolyl hydroxylase inhibitor, and preparation method and medical use thereof EGLN3, EGLN2, EPOR MAPT 3982/4885MAOB 303/4885ALDH1A1 54/4885
US-20020111273-A1 Dihydrobenzene pesticides CYP8B1, CBR1, DHCR24 MAPT 4667/4885MAOB 2190/4885ALDH1A1 1574/4885
US-20200407319-A1 ALKYNYL PYRIDINE PROLYL HYDROXYLASE INHIBITOR, AND PREPARATION METHOD AND MEDICAL USE THEREOF EGLN3, EGLN2, EPOR MAPT 3982/4885MAOB 303/4885ALDH1A1 54/4885
US-10174026-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5A MAPT 2739/4885MAOB 588/4885ALDH1A1 437/4885
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF ARSA, AHR, HRH2 MAPT 4346/4885MAOB 757/4885ALDH1A1 831/4885

“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.