SCHEMBL10840002

SCHEMBL10840002

N[CH]NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.60
ADH1C P00326 1/20 0.60
ADH1A P07327 1/20 0.60
ADH7 P40394 1/20 0.60
IDO1 P14902 2/20 0.54
CYP3A4 P08684 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.48
THRB P10828 1/20 0.48
MEN1 O00255 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
CA12 O43570 2/20 0.45
CA2 P00918 2/20 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
SCHEMBL656733 0.81 ADH1B (0.56) ADH1BADH1CADH1AADH7IDO1
SCHEMBL17092515 0.81 ADH1B (0.56) ADH1BADH1CADH1AADH7IDO1
SCHEMBL29798082 0.79 ADH1B (0.65) ADH1BADH1CADH1AADH7IDO1
SCHEMBL8713797 0.79 ADH1B (0.65) ADH1BADH1CADH1AADH7IDO1
SCHEMBL25270311 0.75 ADH1B (0.60) ADH1BADH1CADH1AADH7IDO1
SCHEMBL27354 0.75 ADH1B (1.00) ADH1BADH1CADH1AADH7IDO1
SCHEMBL2117911 0.75 ADH1B (0.60) ADH1BADH1CADH1AADH7IDO1
SCHEMBL5297466 0.75 ADH1B (0.60) ADH1BADH1CADH1AADH7IDO1
SCHEMBL3084417 0.75 ADH1B (0.60) ADH1BADH1CADH1AADH7IDO1
SCHEMBL248336 0.75 ADH1B (0.60) ADH1BADH1CADH1AADH7IDO1

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-4617401-A ANTISPASMODIC AGENTS, VASODILATORS SUNTORY LTD. (JP) 1986-10-14 US claimed
EP-0039903-B1 8-SUBSTITUTED PYRROLIZIDINES AND QUATERNARY AMMONIUM SALTS THEREOF SUNTORY KABUSHIKI KAISHA (JP) 1986-04-09 EP claimed
EP-0039903-A2 8-Substituted pyrrolizidines and quaternary ammonium salts thereof SUNTORY KABUSHIKI KAISHA (JP) 1981-11-18 EP claimed
EP-3096751-B1 12-EPI-PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2021-01-06 EP disclosed
CN-105916499-B 12-epi-pleuromutilins 纳布里瓦治疗股份公司 2020-02-18 CN disclosed
US-9701628-B2 12-epi pleuromutilins NABRIVA THERAPEUTICS AG (AT) 2017-07-11 US disclosed
EP-3096751-A1 12-EPI-PLEUROMUTILINS Nabriva Therapeutics AG (AT) 2016-11-30 EP disclosed
US-20160332963-A1 12-EPI PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2016-11-17 US disclosed
WO-2015110481-A1 12-EPI-PLEUROMUTILINS NABRIVA THERAPEUTICS AG (AT) 2015-07-30 WO disclosed
US-20130174289-A1 Na+/Mg2+ Exchanger FBN - LEIBNITZ-INSTITUT FUR NUTZTIERBIOLOGIE (DE) 2013-07-04 US disclosed
US-4617401-A ANTISPASMODIC AGENTS, VASODILATORS SUNTORY LTD. (JP) 1986-10-14 US disclosed
EP-0039903-B1 8-SUBSTITUTED PYRROLIZIDINES AND QUATERNARY AMMONIUM SALTS THEREOF SUNTORY KABUSHIKI KAISHA (JP) 1986-04-09 EP disclosed
EP-0039903-A2 8-Substituted pyrrolizidines and quaternary ammonium salts thereof SUNTORY KABUSHIKI KAISHA (JP) 1981-11-18 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 (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-20160332963-A1 12-EPI PLEUROMUTILINS MLN, TCF12, PLEC ADH1B 2288/4885ADH1C 1235/4885ADH1A 1120/4885

“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.