SCHEMBL3393557

SCHEMBL3393557

C=CCN(CC=C)c1cc2ccccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.41
CYP2A6 P11509 1/20 0.41
AOC3 Q16853 2/20 0.40
ALOX5 P09917 1/20 0.39
IDO1 P14902 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR1E P28566 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
ADRA1B P35368 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
SCHEMBL9715627 0.78 BRD4 (0.46) CYP2A6ALOX5NPC1RAB9AALDH1A1
SCHEMBL4272425 0.77 KDM4E (0.47) LOXL2CYP2A6AOC3NPC1RAB9A
SCHEMBL7242212 0.75 IDO1 (0.38) LOXL2CYP2A6AOC3IDO1HTR1A
SCHEMBL88571 0.73 KDM4E (0.40) ALOX5IDO1ALDH1A1LMNAFLT3
SCHEMBL28593629 0.73 AOC3 (0.52) LOXL2CYP2A6AOC3NPC1RAB9A
SCHEMBL31529970 0.70 FLT3 (0.48) LOXL2CYP2A6AOC3ALOX5IDO1
SCHEMBL3365468 0.70 AOC3 (0.48) LOXL2CYP2A6AOC3NPC1RAB9A
SCHEMBL31529969 0.70 FLT3 (0.48) LOXL2CYP2A6AOC3ALOX5IDO1
SCHEMBL325463 0.69 LOXL2 (0.58) LOXL2CYP2A6AOC3IDO1
SCHEMBL31105584 0.69 LOXL2 (0.58) LOXL2CYP2A6AOC3IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0368508-B1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS (JP) 1994-09-14 EP claimed
EP-0373110-B1 PRESSURE-SENSITIVE OR HEAT-SENSITIVE RECORDING MATERIAL CIBA-GEIGY AG (CH) 1993-04-21 EP claimed
US-5112987-A Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, INC. (JP) 1992-05-12 US claimed
EP-0368508-A2 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-16 EP claimed
EP-2121601-B1 NOVEL INDOLE DERIVATIVES, METHODS FOR PREPARING SAME, AND USE THEREOF PARTICULARLY AS ANTIBACTERIAL AGENTS Université Joseph Fourier (FR) 2016-06-15 EP disclosed
US-8343964-B2 Indolic derivatives, their preparation processes and their uses in particular as antibacterials UNIVERSITE JOSEPH FOURIER (FR) 2013-01-01 US disclosed
US-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS UNIVERSITE JOSEPH FOURIER (FR) 2010-06-10 US disclosed
EP-0487322-B1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS (JP) 1996-07-31 EP disclosed
EP-0339887-B1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS (JP) 1996-07-10 EP disclosed
EP-0368508-B1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS (JP) 1994-09-14 EP disclosed
US-5187283-A Reacting indole(or derivatives) with organic hydroperoxide in presence of group 4,5 or 6 metals and removing water during reaction MITSUI TOATSU CHEMICALS, INC. (JP) 1993-02-16 US disclosed
EP-0487322-A1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-05-27 EP disclosed
US-5112987-A Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, INC. (JP) 1992-05-12 US disclosed
US-4973706-A OXIDATION OF INDOLE WITH HYDROPEROXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-11-27 US disclosed
EP-0339887-A1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-11-02 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-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS GPBAR1, TPH1, GPER1 LOXL2 4287/4885CYP2A6 1500/4885AOC3 2652/4885

“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.