SCHEMBL5053299

SCHEMBL5053299

c1ccc2[nH]c(-c3ccc(-c4cc5ccccc5[nH]4)cc3)cc2c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.87
RAB9A P51151 5/20 0.87
KDM4E B2RXH2 5/20 0.81
MAPT P10636 5/20 0.81
MEN1 O00255 5/20 0.81
KMT2A Q03164 5/20 0.81
ALDH1A1 P00352 4/20 0.81
HPGD P15428 3/20 0.81
CASP3 P42574 2/20 0.81
SENP8 Q96LD8 2/20 0.81
SENP7 Q9BQF6 2/20 0.81
SENP6 Q9GZR1 2/20 0.81
CYP1A2 P05177 2/20 0.81
CYP2C9 P11712 1/20 0.81
CYP2C19 P33261 1/20 0.81
CA12 O43570 1/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
CA9 Q16790 1/20 0.68
CYP19A1 P11511 4/20 0.61

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
SCHEMBL28416625 0.98 NPC1 (0.83) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL10997076 0.94 NPC1 (0.92) NPC1RAB9AKDM4EMAPTMEN1
2-Phenyl-1H-Indole SCHEMBL29363616 0.93 NPC1 (1.00) NPC1RAB9AKDM4EMAPTMEN1
2-Phenyl-1H-Indole SCHEMBL341378 0.93 NPC1 (1.00) NPC1RAB9AKDM4EMAPTMEN1
Fluoride SCHEMBL27588167 0.92 NPC1 (0.88) NPC1RAB9AKDM4EMAPTMEN1
2-Phenyl-1H-Indole SCHEMBL29788796 0.91 NPC1 (0.96) NPC1RAB9AKDM4EMAPTMEN1
2-Phenyl-1H-Indole SCHEMBL28371904 0.91 NPC1 (0.96) NPC1RAB9AKDM4EMAPTMEN1
2-Phenyl-1H-Indole SCHEMBL11652520 0.91 NPC1 (0.96) NPC1RAB9AKDM4EMAPTMEN1
2-Phenyl-1H-Indole SCHEMBL29440010 0.91 NPC1 (0.96) NPC1RAB9AKDM4EMAPTMEN1
2-Phenyl-1H-Indole SCHEMBL6529483 0.91 NPC1 (0.96) NPC1RAB9AKDM4EMAPTMEN1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1340113-A heat-resistant crimped yarn TORAY DU PONT KK (JP) 2002-03-13 CN claimed
US-5770121-A Solid state coagulation of optical quality polymer thin films THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1998-06-23 US claimed
US-5492666-A EXPOSING TO A NONSOVENT VAPOR THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1996-02-20 US claimed
US-5298189-A Fluorescent compound dispersed in polymer matrix, no self-absorption, stable to high energy radiation NANOPTICS INCORPORATED (US) 1994-03-29 US claimed
US-5086120-A Ionically blended molecular composites THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1992-02-04 US claimed
US-10323338-B2 Process for making composites comprising rigid-rod polymers and graphene nanoparticles TJC Polymer Inc. (US) 2019-06-18 US disclosed
US-20180105957-A1 PROCESS FOR MAKING COMPOSITES COMPRISING RIGID-ROD POLYMERS AND GRAPHENE NANOPARTICLES DANG THUY D (US) 2018-04-19 US disclosed
US-9850596-B2 Composites comprising rigid-rod polymers and graphene nanoparticles and process for making the same TJC Polymer Inc. (US) 2017-12-26 US disclosed
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 US disclosed
WO-2016004513-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2016-01-14 WO disclosed
US-20150218730-A1 COMPOSITES COMPRISING RIGID-ROD POLYMERS AND GRAPHENE NANOPARTICLES AND PROCESS FOR MAKING THE SAME DANG THUY D (US) 2015-08-06 US disclosed
EP-1421032-B1 COMPOSITIONS COMPRISING RIGID-ROD POLYMERS AND CARBON NANOTUBES AND PROCESS FOR MAKING THE SAME GEORGIA TECH RES INST (US) 2008-11-19 EP disclosed
US-5606638-A Organic scintillator systems and optical fibers containing polycyclic aromatic compounds NANOPTICS INCORPORATED (US) 1997-02-25 US disclosed
US-5536866-A Triarylamine-based dinitrile and dicarboxylic acid monomers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1996-07-16 US disclosed
US-5534613-A ELECTROCONDUCTORS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1996-07-09 US disclosed
US-5521277-A ELECTROCONDUCTIVE POLYMERS WITH POLYTHIAZOLES OR POLYOXAZOLE GROUPS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1996-05-28 US disclosed
US-5426173-A Polybenzoxazoles having improved compressive strength THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1995-06-20 US disclosed
US-5298189-A Fluorescent compound dispersed in polymer matrix, no self-absorption, stable to high energy radiation NANOPTICS INCORPORATED (US) 1994-03-29 US disclosed
US-5194519-A Benzobisimidazoles or benzothiazoles in polyether ketone or ether ether ketone polymers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1993-03-16 US disclosed
US-5086120-A Ionically blended molecular composites THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1992-02-04 US 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-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS PDK1, PDK3, PDK2 NPC1 2398/4885RAB9A 4231/4885KDM4E 1649/4885

“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.