SCHEMBL2054216

SCHEMBL2054216

Clc1nc(Cl)nc(-c2ccc3ccc4cccc5ccc2c3c45)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
HPGD P15428 5/20 0.42
HSD17B10 Q99714 5/20 0.42
TSHR P16473 3/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 4/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
ERBB2 P04626 1/20 0.40
FYN P06241 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
AHR P35869 1/20 0.40
KDM4E B2RXH2 5/20 0.39
KMT2A Q03164 4/20 0.39
THRB P10828 1/20 0.39
POLB P06746 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37

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
SCHEMBL30495899 1.00 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL13851811 0.96 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL21537084 0.92 KDM4E (0.38) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL15256444 0.89 ALDH1A1 (0.37) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL13851822 0.87 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL29220462 0.86 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL11748643 0.86 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL24431946 0.81 L3MBTL1 (0.35) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL21536826 0.81 MEN1 (0.41) ALDH1A1HPGDTSHRCYP3A4TDP1
SCHEMBL29220464 0.80 CYP1A2 (0.45) ALDH1A1HPGDHSD17B10TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011066332-A2 GRAPHENE DISPERSION, AND GRAPHENE MEMBRANE AND DEVICES INCORPORATING THE SAME RENSSELAER POLYTECHNIC INSTITUTE (US) 2011-06-03 WO claimed
WO-2023124205-A1 ORGANIC COMPOUNDS, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2023-07-06 WO disclosed
US-11454890-B2 Composition for resist underlayer film formation, resist underlayer film and forming method thereof, patterned substrate-producing method, and compound JSR CORPORATION (JP) 2022-09-27 US disclosed
US-20220158099-A1 DISPLAY APPARATUS AND LIGHT ABSORBER INCLUDED IN DISPLAY APPARATUS SAMSUNG DISPLAY CO., LTD. (KR) 2022-05-19 US disclosed
US-20200272053-A1 COMPOSITION FOR RESIST UNDERLAYER FILM FORMATION, RESIST UNDERLAYER FILM AND FORMING METHOD THEREOF, PATTERNED SUBSTRATE-PRODUCING METHOD, AND COMPOUND JSR CORPORATION (JP) 2020-08-27 US disclosed
US-9766213-B2 Innovation to assay mixing BIO-RAD LABORATORIES, INC. (US) 2017-09-19 US disclosed
US-20150090343-A1 INNOVATION TO ASSAY MIXING BIO-RAD LABORATORIES, INC. 2015-04-02 US disclosed
US-8586735-B2 Hydroxyphenyl triazines with an aromatic carbocyclic fused ring system BASF SE (DE) 2013-11-19 US disclosed
US-20130143051-A1 HYDROXYPHENYL TRIAZINES WITH AN AROMATIC CARBOCYCLIC FUSED RING SYSTEM CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2013-06-06 US disclosed
US-20130143051-A1 HYDROXYPHENYL TRIAZINES WITH AN AROMATIC CARBOCYCLIC FUSED RING SYSTEM CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2013-06-06 US disclosed
US-8389719-B2 Hydroxyphenyltriazines with an aromatic carbocyclic fused ring system CIBA SPECIALTY CHEMICALS CORP. (US) 2013-03-05 US disclosed
WO-2011066332-A2 GRAPHENE DISPERSION, AND GRAPHENE MEMBRANE AND DEVICES INCORPORATING THE SAME RENSSELAER POLYTECHNIC INSTITUTE (US) 2011-06-03 WO disclosed
US-20090136768-A1 Hydroxyphenyltriazines With An Aromatic Carbocyclic Fused Ring System CIBA CORPORATION 2009-05-28 US disclosed
US-20090136768-A1 Hydroxyphenyltriazines With An Aromatic Carbocyclic Fused Ring System CIBA CORPORATION 2009-05-28 US disclosed
US-5322941-A Process for the preparation of pyrene compounds HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-21 US disclosed
US-4992204-A LUMINOPHORE LINKED TO POLYALKYLENE MOIETY MILIKEN RESEARCH CORPORATION (US) 1991-02-12 US disclosed
EP-0020817-B1 PROCESS FOR THE PREPARATION OF PYRENE COMPOUNDS BAYER AG (DE) 1982-05-19 EP disclosed
US-4278795-A Process for the preparation of pyrene compounds BAYER AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed
EP-0025166-A1 Process for preparing vat dyestuffs of the anthraquinone series, their use in dyeing and printing preparations and in dyeing and printing CIBA-GEIGY AG (CH) 1981-03-18 EP disclosed
EP-0020817-A1 Process for the preparation of pyrene compounds BAYER AG (DE) 1981-01-07 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 (4 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-20200272053-A1 COMPOSITION FOR RESIST UNDERLAYER FILM FORMATION, RESIST UNDERLAYER FILM AND FORMING METHOD THEREOF, PATTERNED SUBSTRATE-PRODUCING METHOD, AND COMPOUND RRS1, EMG1, RER1 ALDH1A1 1345/4885HPGD 3309/4885HSD17B10 194/4885
US-20090136768-A1 Hydroxyphenyltriazines With An Aromatic Carbocyclic Fused Ring System AHR, PAH, TPH2 ALDH1A1 831/4885HPGD 512/4885HSD17B10 2006/4885
US-20220158099-A1 DISPLAY APPARATUS AND LIGHT ABSORBER INCLUDED IN DISPLAY APPARATUS CRY1, EPHB4, HTR3D ALDH1A1 469/4885HPGD 533/4885HSD17B10 1616/4885
US-11454890-B2 Composition for resist underlayer film formation, resist underlayer film and forming method thereof, patterned substrate-producing method, and compound RRS1, EMG1, RER1 ALDH1A1 1345/4885HPGD 3309/4885HSD17B10 194/4885

“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.