SCHEMBL687742

SCHEMBL687742

COC(=O)Cc1cccn1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
RECQL P46063 5/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
RAB9A P51151 6/20 0.47
KDM4E B2RXH2 5/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 8/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 2/20 0.45
GFER P55789 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL7676895 0.82 RAB9A (0.48) ALDH1A1RECQLCYP1A2CYP2C19CYP2C9
SCHEMBL11531240 0.81 TSHR (0.53) ALDH1A1RECQLCYP1A2CYP2C19CYP2C9
SCHEMBL11531019 0.80 ALDH1A1 (0.44) ALDH1A1RECQLCYP1A2CYP2C19CYP2C9
SCHEMBL11529058 0.79 LPO (0.39) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD
SCHEMBL867896 0.79 ALDH1A1 (0.53) ALDH1A1RECQLCYP1A2CYP2C19CYP2C9
SCHEMBL14828743 0.79 ALDH1A1 (0.53) ALDH1A1RECQLCYP1A2CYP2C19CYP2C9
SCHEMBL9542507 0.78 CYP2C19 (0.47) ALDH1A1RECQLCYP1A2CYP2C19CYP2C9
SCHEMBL28630338 0.78 ALDH1A1 (0.52) ALDH1A1RECQLCYP1A2CYP2C19CYP2C9
SCHEMBL18512317 0.77 ALDH1A1 (0.44) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL29020269 0.77 ALDH1A1 (0.60) ALDH1A1RECQLCYP1A2CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0010553-B1 PROCESS OF REDUCING A LOWERALKYL 1-LOWERALKYL-PYRROLE-2-GLYOXYLATE TO A LOWERALKYL 1-LOWERALKYL-PYRROLE-2-ACETATE McNeilab, Inc. (US) 1983-05-18 EP claimed
US-4255335-A Preparation of 5-aroyl-1-loweralkylpyrrole-2-acetic acid derivatives MCNEILAB, INC. (US) 1981-03-10 US claimed
EP-0010553-A1 Process of reducing a loweralkyl 1-loweralkyl-pyrrole-2-glyoxylate to a loweralkyl 1-loweralkyl-pyrrole-2-acetate McNeilab, Inc. (US) 1980-05-14 EP claimed
US-4187230-A Preparation of 5-aroyl-pyrrole compounds ETHYL CORPORATION (US) 1980-02-05 US claimed
US-4125537-A REDUCTION OF PYRROLE-2-GLYOXYLATES AMINE CATALYZED ACTION OF HYDROGEN SULFIDE IN TERTIARY AMINE SOLVENT MCNEIL LABORATORIES, INCORPORATED (US) 1978-11-14 US claimed
US-11833162-B2 Macrocyclic derivatives, process for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2023-12-05 US disclosed
EP-3700911-B1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2023-09-06 EP disclosed
CN-111511750-B Macrocyclic derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2023-06-13 CN disclosed
US-9709907-B2 Electrophotographic photosensitive member, process cartridge and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2017-07-18 US disclosed
US-9709907-B2 Electrophotographic photosensitive member, process cartridge and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2017-07-18 US disclosed
US-9540338-B2 Substituted cinnamic acid amides for treating pain NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2017-01-10 US disclosed
US-9500966-B2 Electrophotographic photosensitive member, process cartridge and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2016-11-22 US disclosed
EP-0010553-A1 Process of reducing a loweralkyl 1-loweralkyl-pyrrole-2-glyoxylate to a loweralkyl 1-loweralkyl-pyrrole-2-acetate McNeilab, Inc. (US) 1980-05-14 EP disclosed
US-4187230-A Preparation of 5-aroyl-pyrrole compounds ETHYL CORPORATION (US) 1980-02-05 US disclosed
US-4136097-A COPPER(II) COMPLEX AS PROMOTER MCNEIL LABORATORIES, INC. (US) 1979-01-23 US disclosed
US-4125537-A REDUCTION OF PYRROLE-2-GLYOXYLATES AMINE CATALYZED ACTION OF HYDROGEN SULFIDE IN TERTIARY AMINE SOLVENT MCNEIL LABORATORIES, INCORPORATED (US) 1978-11-14 US disclosed
US-4119639-A Preparation of 5-aroylpyrrole-2-acetic acid derivatives MCNEIL LABORATORIES, INCORPORATED (US) 1978-10-10 US disclosed
US-3957818-A PREPARATION OF PYRROLE-2-ACETIC ACID DERIVATIVES MCNEIL LABORATORIES, INCORPORATED (US) 1976-05-18 US disclosed
US-3952012-A MULTISTAGE MCNEIL LABORATORIES, INCORPORATED (US) 1976-04-20 US disclosed
US-3950355-A 5-CHLOROCARBONYL MCNEIL LABORATORIES, INC. (US) 1976-04-13 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 (1 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-11833162-B2 Macrocyclic derivatives, process for preparing same and pharmaceutical compositions containing same C1R, F12, RDX ALDH1A1 1066/4885RECQL 21/4885CYP1A2 40/4885

“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.