SCHEMBL17199870

SCHEMBL17199870

C=CCNC1=CC1NCC=C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 3/20 0.30
KMT2A Q03164 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
MITF O75030 1/20 0.30
NSD2 O96028 1/20 0.30
LMNA P02545 1/20 0.30
CASP3 P42574 1/20 0.30
HTT P42858 1/20 0.30
SENP8 Q96LD8 1/20 0.30

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
SCHEMBL99646 0.62 CA12 (0.65) CA12CA1CA2CA9ALDH1A1
SCHEMBL1581280 0.59 CA12 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL6003024 0.59 CA12 (0.55) CA12CA1CA2CA9ALDH1A1
SCHEMBL4784858 0.59 ALDH1A1 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL1585896 0.57 CA12 (0.59) CA12CA1CA2CA9ALDH1A1
SCHEMBL11051 0.57 CA12 (0.53) CA12CA1CA2CA9ALDH1A1
SCHEMBL16371883 0.57 CA12 (0.53) CA12CA1CA2CA9ALDH1A1
SCHEMBL3237315 0.57 GAA (0.53) ALDH1A1KMT2ASMN1; SMN2MEN1GAA
SCHEMBL530785 0.57
SCHEMBL7735833 0.57 KMT2A (0.39) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3137472-B1 N-SUBSTITUTED PYRIDINIOPHOSPHINES, PROCESSES FOR THEIR PREPARATION AND THEIR USE STUDIENGESELLSCHAFT KOHLE MBH (DE) 2018-07-04 EP disclosed
US-9962690-B2 N-substituted pyridiniophosphines, processes for their preparation and their use STUDIENGESELLSCHAFT KOHLE MBH (DE) 2018-05-08 US disclosed
EP-3137472-A1 N-SUBSTITUTED PYRIDINIOPHOSPHINES, PROCESSES FOR THEIR PREPARATION AND THEIR USE Studiengesellschaft Kohle MbH (DE) 2017-03-08 EP disclosed
US-20170050180-A1 N-SUBSTITUTED PYRIDINIOPHOSPHINES, PROCESSES FOR THEIR PREPARATION AND THEIR USE STUDIENGESELLSCHAFT KOHLE MBH (DE) 2017-02-23 US disclosed
WO-2015165781-A1 N-substituted pyridiniophosphines, processes for their preparation and their use STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-11-05 WO disclosed
EP-2937354-A1 N-substituted pyridiniophosphines, processes for their preparation and their use Studiengesellschaft Kohle mbH (DE) 2015-10-28 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-20170050180-A1 N-SUBSTITUTED PYRIDINIOPHOSPHINES, PROCESSES FOR THEIR PREPARATION AND THEIR USE PNPO, PHOSPHO1, NAPEPLD CA12 3769/4885CA1 4303/4885CA2 3424/4885

“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.