SCHEMBL1966772

SCHEMBL1966772

COc1cccc2[c]c[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA12 O43570 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA4 P22748 1/20 0.39
PSMB8 P28062 1/20 0.39
HTR2A P28223 1/20 0.38
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
NQO2 P16083 1/20 0.37
DAO P14920 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL6015792 0.82
SCHEMBL9740826 0.82 ABCB1 (0.47) ALDH1A1MAPTTP53HSD17B10SMN1; SMN2
SCHEMBL7289074 0.80 DAO (0.41) KDM4EALDH1A1DAOMAPTLMNA
SCHEMBL6015979 0.79 SMN1; SMN2 (0.39) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL9741890 0.76 CYP19A1 (0.38) KDM4EALDH1A1HPGDNQO2MAPT
SCHEMBL9739481 0.76 KDM4E (0.38) KDM4ENQO2MAPTMEN1POLB
SCHEMBL6015677 0.74 MCHR1 (0.34) HTT
SCHEMBL6015713 0.74 IDO1 (0.39) ALDH1A1MAPTLMNATP53CYP3A4
SCHEMBL959953 0.74 TRIM24 (0.39) CA1CA2CA7CA9HTR2A
SCHEMBL9740681 0.73 ABCB1 (0.40) KDM4EALDH1A1CYP3A4HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4966913-A FOR FALL ARMYWORM AND EUROPEAN CORN BORER THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1990-10-30 US claimed
WO-2023040998-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-03-23 WO disclosed
CN-112218852-A Oxidized bis (3-indolyl) methane and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2021-01-12 CN disclosed
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP disclosed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
US-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 US disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO disclosed
US-7521454-B2 Adenine derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-04-21 US disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
EP-0121716-B1 INDOLE DERIVATIVES MERCK PATENT GmbH (DE) 1987-12-09 EP disclosed
EP-0206225-A2 Indole derivatives MERCK PATENT GmbH (DE) 1986-12-30 EP disclosed
US-4617309-A Sulfur-containing indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-14 US disclosed
EP-0105397-B1 SULPHURIC INDOLE DERIVATIVES MERCK PATENT GmbH (DE) 1986-07-16 EP disclosed
EP-0121716-A1 Indole derivatives MERCK PATENT GmbH (DE) 1984-10-17 EP disclosed
EP-0114603-A1 Indole derivatives MERCK PATENT GmbH (DE) 1984-08-01 EP disclosed
EP-0105397-A1 Sulphuric indole derivatives MERCK PATENT GmbH (DE) 1984-04-18 EP disclosed
EP-0007399-B1 INDOLYLALKYL AMINES, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND PROCESS FOR THEIR MANUFACTURE MERCK PATENT GmbH (DE) 1982-01-20 EP disclosed
US-4251538-A Indolealkylamines and processes for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-02-17 US disclosed
EP-0007399-A1 Indolylalkyl amines, pharmaceutical preparations containing them and process for their manufacture MERCK PATENT GmbH (DE) 1980-02-06 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 (2 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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 CA1 1693/4885CA2 3955/4885CA7 3360/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 CA1 2155/4885CA2 985/4885CA7 3766/4885

“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.