SCHEMBL1769341

SCHEMBL1769341

CCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
MEN1 O00255 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
ALOX15 P16050 1/20 0.64
TSHR P16473 1/20 0.64
CYP2C19 P33261 1/20 0.64
KMT2A Q03164 1/20 0.64
OPRM1 P35372 9/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
OPRD1 P41143 3/20 0.51
OPRK1 P41145 3/20 0.51
SLC22A1 O15245 1/20 0.51
SLC6A4 P31645 1/20 0.51
ADRA1A P35348 1/20 0.51
KCNH2 Q12809 1/20 0.51
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL12273135 0.94 LMNA (0.68) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL6737966 0.91 OPRM1 (0.67) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL16423615 0.91 LMNA (0.58) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL12649534 0.88 OPRM1 (0.56) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL23011158 0.86 LMNA (0.53) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL1465773 0.83 MEN1 (0.54) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL16280746 0.82 MEN1 (0.54) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL10318609 0.80 OPRM1 (0.60) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL1769439 0.79 ALDH1A1 (0.47) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL5072121 0.79 LMNA (1.00) LMNAMEN1CYP1A2CYP3A4CYP2D6

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-11364220-B2 Compounds and methods for inhibiting CPY26 enzymes QUEEN'S UNIVERSITY AT KINGSTON (CA) 2022-06-21 US disclosed
US-20210220326-A1 Compounds and Methods for Inhibiting CPY26 Enzymes QUEEN'S UNIVERSITY AT KINGSTON (CA) 2021-07-22 US disclosed
US-10874634-B2 Compounds and methods for inhibiting CYP26 enzymes QUEEN'S UNIVERSITY AT KINGSTON (CA) 2020-12-29 US disclosed
US-9187453-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-20150094296-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-02 US disclosed
EP-2832734-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-04 EP disclosed
CN-102648178-B Quinazoline derivatives MERCK PATENT GMBH 2015-01-07 CN disclosed
US-8906930-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8906930-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-20120238582-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-20 US disclosed
US-20120238582-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-20 US disclosed
CN-102648178-A Quinazoline derivatives MERCK PATENT GMBH 2012-08-22 CN disclosed
WO-2011061760-A1 NOVEL ANTITHROMBOTIC AGENTS CADILA HEALTHCARE LIMITED (IN) 2011-05-26 WO 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-20150094296-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA LMNA 2866/4885MEN1 1167/4885CYP1A2 2832/4885
US-10874634-B2 Compounds and methods for inhibiting CYP26 enzymes CYP26B1, CYP2A6, CYP26A1 LMNA 2720/4885MEN1 4657/4885CYP1A2 32/4885
US-11364220-B2 Compounds and methods for inhibiting CPY26 enzymes CYP2A6, CYP27A1, CYP26B1 LMNA 3766/4885MEN1 4752/4885CYP1A2 84/4885
US-20120238582-A1 QUINAZOLINE DERIVATIVES HSP90AB1, HSP90AA1, HSP90B1 LMNA 3128/4885MEN1 4488/4885CYP1A2 446/4885
US-20210220326-A1 Compounds and Methods for Inhibiting CPY26 Enzymes CYP2A6, CYP27A1, CYP26B1 LMNA 3922/4885MEN1 4793/4885CYP1A2 86/4885

“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.