SCHEMBL1029447

SCHEMBL1029447

Cc1ccccc1N(C)C(=O)Cl

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HSD17B1 P14061 13/20 0.45
HSD17B2 P37059 12/20 0.45
GPBAR1 Q8TDU6 1/20 0.43
LMNA P02545 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
SCHEMBL12550525 0.83 ALDH1A1 (0.53) SIGMAR1ALDH1A1HSD17B1HSD17B2LMNA
SCHEMBL29674730 0.81 TSPO (0.53) SIGMAR1ALDH1A1HSD17B1HSD17B2LMNA
SCHEMBL1029152 0.81 TRPM8 (0.50) SIGMAR1ALDH1A1HSD17B1HSD17B2LMNA
SCHEMBL2090213 0.81 HSD17B1 (0.49) SIGMAR1ALDH1A1HSD17B1HSD17B2LMNA
SCHEMBL5042970 0.81 TSPO (0.53) SIGMAR1ALDH1A1HSD17B1HSD17B2LMNA
Benzene SCHEMBL28335658 0.81 TRPM8 (0.50) SIGMAR1ALDH1A1HSD17B1HSD17B2LMNA
SCHEMBL30936965 0.79 GPBAR1 (0.47) ALDH1A1GPBAR1
SCHEMBL10943951 0.79 SIGMAR1 (0.47) SIGMAR1ALDH1A1HSD17B1HSD17B2LMNA
SCHEMBL7815992 0.79 SIGMAR1 (0.47) SIGMAR1ALDH1A1HSD17B1HSD17B2LMNA
SCHEMBL5932324 0.79 SIGMAR1 (0.47) SIGMAR1ALDH1A1HSD17B1HSD17B2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655323-B1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LTD (IE) 2017-12-20 EP disclosed
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2017-08-03 US disclosed
US-9708286-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2017-07-18 US disclosed
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2015-10-15 US disclosed
US-9102687-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2015-08-11 US disclosed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US disclosed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO disclosed
EP-2044023-B1 DERIVATIVES OF 1-PHENYL-2-PYRIDYNYL ALKYLENE ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMA SPA (IT) 2011-01-19 EP disclosed
US-7671066-B2 Derivatives of 1-phenyl-2-pyridynyl alkylene alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2010-03-02 US disclosed
EP-2044023-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDYNYL ALKYLENE ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.p.A. (IT) 2009-04-08 EP disclosed
WO-2008006509-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDYNYL ALKYLENE ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2008-01-17 WO disclosed
US-20080015226-A1 Derivatives of 1-phenyl-2-pyridynyl alkylene alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A.. 2008-01-17 US disclosed
US-4053298-A HERBICIDAL COMPOSITIONS CONTAINING 1-THIADIAZOLYL-6-CARBAMOYLOXYTETRAHYDROPYRIMIDINONES AND METHODS THEREFOR VELSICOL CHEMICAL CORPORATION (US) 1977-10-11 US disclosed
US-4023957-A Herbicidal 1-thiadiazolyl-5-carbamoyloxyimidazolidinones VELSICOL CHEMICAL CORPORATION (US) 1977-05-17 US disclosed
US-3951976-A 1-Thiadiazoly-6-carbamoyloxytetrahydropyrimidinones VELSICOL CHEMICAL CORPORATION (US) 1976-04-20 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 (4 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-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG SIGMAR1 1187/4885ALDH1A1 2810/4885HSD17B1 1501/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG SIGMAR1 1187/4885ALDH1A1 2810/4885HSD17B1 1501/4885
US-20080015226-A1 Derivatives of 1-phenyl-2-pyridynyl alkylene alcohols as phosphodiesterase inhibitors PDE4A, PDE4B, PDE12 SIGMAR1 3688/4885ALDH1A1 57/4885HSD17B1 180/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG SIGMAR1 1187/4885ALDH1A1 2810/4885HSD17B1 1501/4885

“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.