SCHEMBL3638740

SCHEMBL3638740

CCCc1cc(CO)ccn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.56
▸ LMNA P02545 3/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ RECQL P46063 2/20 0.52
▸ SREBF2 Q12772 10/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ MAPT P10636 3/20 0.39
▸ ATM Q13315 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ PLAU P00749 1/20 0.38

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
SCHEMBL487201 0.85 KDM4E (0.56) KDM4ELMNACYP3A4TSHRRECQL
SCHEMBL5102581 0.84 KDM4E (0.47) KDM4ELMNACYP3A4TSHRRECQL
SCHEMBL10066451 0.83 NOS3 (0.55) KDM4ELMNACYP3A4TSHRRECQL
SCHEMBL2935815 0.83 RECQL (0.55) KDM4ELMNACYP3A4TSHRRECQL
SCHEMBL13541414 0.81 RECQL (0.61) TSHRRECQLMAOADYRK1AALDH1A1
SCHEMBL27756399 0.80 KDM4E (0.51) KDM4ELMNACYP3A4TSHRRECQL
SCHEMBL3640229 0.80 KDM4E (0.51) KDM4ELMNACYP3A4TSHRRECQL
SCHEMBL16544526 0.78 CYP3A4 (0.50) KDM4ELMNACYP3A4TSHRL3MBTL1
SCHEMBL18924478 0.78 KDM4E (0.50) KDM4ELMNACYP3A4TSHRRECQL
SCHEMBL17520376 0.78 KDM4E (0.58) KDM4ELMNACYP3A4TSHRRECQL

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927106-B2 Benzothiazole derivatives as DYRK1 inhibitors PHARMASUM THERAPEUTICS AS (NO) 2021-02-23 — — US disclosed
US-9765065-B2 Therapeutic substituted cyclopentanes ALLERGAN, INC. (US) 2017-09-19 — — US disclosed
US-20170144999-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES ALLERGAN, INC. 2017-05-25 — — US disclosed
US-9591935-B2 Therapeutic substituted cyclopentanes ALLERGEN, INC. (US) 2017-03-14 — — US disclosed
EP-2170345-B1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES FOR REDUCING INTRAOCULAR PRESSURE ALLERGAN INC (US) 2013-03-06 — — EP disclosed
US-20130030008-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-01-31 — — US disclosed
US-8362073-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2013-01-29 — — US disclosed
US-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2011-06-23 — — US disclosed
US-20110062165-A1 BALANCED INDIVIDUAL DINING PLATE ALLERGAN INC 2011-03-17 — — US disclosed
EP-2170345-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES FOR REDUCING INTRAOCULAR PRESSURE Allergan, Inc. (US) 2010-04-07 — — EP disclosed
WO-2009006370-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES FOR REDUCING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2009-01-08 — — WO disclosed
US-7342116-B2 Process for producing heterocyclic aldehyde KOEI CHEMICAL CO., LTD. (JP) 2008-03-11 — — US disclosed
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound KOEI CHEMICAL CO., LTD. (JP) 2005-06-09 — — 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 (5 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-10927106-B2 Benzothiazole derivatives as DYRK1 inhibitors DYRK1A, DYRK1B, PDK2 KDM4E 984/4885LMNA 4785/4885CYP3A4 2557/4885
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound ADH1C, ADH1A, AOX1 KDM4E 3250/4885LMNA 4168/4885CYP3A4 301/4885
US-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG KDM4E 938/4885LMNA 1259/4885CYP3A4 4152/4885
US-20170144999-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES CYP11B2, CYP11B1, HMGCR KDM4E 2506/4885LMNA 1312/4885CYP3A4 562/4885
US-20130030008-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG KDM4E 938/4885LMNA 1259/4885CYP3A4 4152/4885

“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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