SCHEMBL2272142

SCHEMBL2272142

Cc1ccc2cc(C#Cc3ccc(N(c4ccc(C#Cc5ccc6nc(C)ccc6c5)cc4)c4ccc(C#Cc5ccc6nc(C)ccc6c5)cc4)cc3)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.50
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
CASP6 P55212 1/20 0.47
TTR P02766 2/20 0.37
KDM1A O60341 1/20 0.36
PDE10A Q9Y233 2/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
GRM5 P41594 2/20 0.35
OGA O60502 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL14925242 0.83 LMNA (0.66) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL2222093 0.80 CYP1A2 (0.63) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL14930099 0.79 CYP1A2 (0.53) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL16289460 0.79 CYP1A2 (0.53) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL2225039 0.78 CYP1A2 (0.52) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL12516469 0.77 KDM4E (0.42) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL12517701 0.76 CCR1 (0.38) TTRPDE10ANPC1RAB9AALDH1A1
SCHEMBL2224584 0.76 CCR1 (0.38) KDM4EPDE10ANPC1RAB9AMEN1
SCHEMBL4054850 0.75 CYP1A2 (0.57) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL2224222 0.75 CYP1A2 (0.57) CYP1A2KDM4ELMNAPOLBCASP6

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 10 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
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
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
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 CYP1A2 43/4885KDM4E 2288/4885LMNA 2819/4885

“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.