SCHEMBL2224112

SCHEMBL2224112

Cc1ccc2c(C#C[Si](C)(C)C)cccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 4/20 0.40
GRM5 P41594 4/20 0.38
CYP2C9 P11712 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 2/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
THPO P40225 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRM1 Q13255 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
SCHEMBL2221726 0.77 ALDH1A1 (0.47) ALDH1A1CYP1A2GRM5CYP2C9MEN1
SCHEMBL3971916 0.77 ALDH1A1 (0.47) ALDH1A1CYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL12405322 0.76 KDM4E (0.39) ALDH1A1CYP1A2GRM5CYP2C9MEN1
SCHEMBL26259569 0.76 CYP1A2 (0.41) ALDH1A1CYP1A2GRM5CYP2C9MEN1
SCHEMBL16557010 0.73 GRM5 (0.39) ALDH1A1CYP1A2GRM5CYP2C9MEN1
SCHEMBL5012545 0.73 GRM5 (0.49) ALDH1A1CYP1A2GRM5CYP2C9MEN1
SCHEMBL11249229 0.70 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2C9MEN1KMT2A
SCHEMBL826491 0.70 CYP1A2 (0.57) ALDH1A1CYP1A2CYP2C9KMT2ANCF1
SCHEMBL5432662 0.70 KDM4E (0.33) ALDH1A1CYP1A2CYP2C9MEN1KMT2A
SCHEMBL26259588 0.70 CYP1A2 (0.33) ALDH1A1CYP1A2GRM5CYP2C9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993767-B2 Multiphoton activable quinoline derivatives, their preparation and their uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-03-31 US disclosed
US-8993767-B2 Multiphoton activable quinoline derivatives, their preparation and their uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-03-31 US disclosed
EP-2523937-B1 Multiphoton activable quinoline derivatives, their preparation and their uses CENTRE NAT RECH SCIENT (FR) 2015-03-11 EP disclosed
US-20130116281-A1 Multiphoton Activable Quinoline Derivatives, Their Preparation and Their Uses UNIVERSITÉ PARIS CITÉ (FR) 2013-05-09 US disclosed
US-20130116281-A1 Multiphoton Activable Quinoline Derivatives, Their Preparation and Their Uses UNIVERSITÉ PARIS CITÉ (FR) 2013-05-09 US disclosed
EP-2523937-A1 MULTIPHOTON ACTIVABLE QUINOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USES Centre National De La Recherche Scientifique (FR) 2012-11-21 EP disclosed
WO-2011086469-A1 MULTIPHOTON ACTIVABLE QUINOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-07-21 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 (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-20130116281-A1 Multiphoton Activable Quinoline Derivatives, Their Preparation and Their Uses NQO2, ACHE, NQO1 ALDH1A1 568/4885CYP1A2 43/4885GRM5 1674/4885

“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.