SCHEMBL2245998

SCHEMBL2245998

Brc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.72
NPC1 O15118 13/20 0.70
RAB9A P51151 13/20 0.70
ALDH1A1 P00352 4/20 0.70
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
CYP1A2 P05177 2/20 0.70
SMN1; SMN2 Q16637 7/20 0.68
TSHR P16473 5/20 0.68
MAPT P10636 5/20 0.68
TP53 P04637 5/20 0.68
HPGD P15428 4/20 0.68
KDM4E B2RXH2 4/20 0.66
HSD17B10 Q99714 3/20 0.66
GAA P10253 2/20 0.66
LMNA P02545 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.56
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
PKM P14618 1/20 0.54

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
SCHEMBL9610048 1.00 DGAT1 (0.72) DGAT1NPC1RAB9AALDH1A1MEN1
Bromide SCHEMBL5999618 0.97 DGAT1 (0.69) DGAT1NPC1RAB9AALDH1A1MEN1
Bromide SCHEMBL5999620 0.97 DGAT1 (0.69) DGAT1NPC1RAB9AALDH1A1MEN1
SCHEMBL861223 0.91 NPC1 (0.74) DGAT1NPC1RAB9AALDH1A1MEN1
SCHEMBL2801025 0.87 NPC1 (0.86) DGAT1NPC1RAB9AALDH1A1MEN1
SCHEMBL2159951 0.86 NPC1 (0.74) DGAT1NPC1RAB9AALDH1A1MEN1
SCHEMBL14579893 0.85 DGAT1 (0.56) DGAT1NPC1RAB9AALDH1A1MEN1
SCHEMBL28628120 0.84 DGAT1 (0.60) DGAT1NPC1RAB9AALDH1A1MEN1
SCHEMBL15718167 0.84 DGAT1 (1.00) DGAT1NPC1RAB9AALDH1A1MEN1
SCHEMBL930622 0.84 NPC1 (0.61) DGAT1NPC1RAB9AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924149-A Bipolar compound containing 1-substituted carbazole, and preparation method and application thereof 中国石油化工股份有限公司 2024-04-26 CN disclosed
US-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 2024-01-18 US disclosed
US-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 2024-01-18 US disclosed
US-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 2024-01-18 US disclosed
CN-114181167-A Novel compound for capping layer and organic light-emitting element including same 东进世美肯株式会社 2022-03-15 CN disclosed
US-10240084-B2 Non-crystallizable pi-conjugated molecular glass mixtures, charge transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof for organic light emitting diodes and other organic electronics and photonics applications MOLECULAR GLASSES, INC. (US) 2019-03-26 US disclosed
CN-108947926-A It is a kind of based on pyrene-oxadiazole derivatives bipolarity compound and its application 瑞声科技(南京)有限公司 2018-12-07 CN disclosed
US-9169208-B2 Aromatic and aromatic/heteroaromatic molecular structures with controllable electron conducting properties E I DU PONT DE NEMOURS AND COMPANY (US) 2015-10-27 US disclosed
US-9169208-B2 Aromatic and aromatic/heteroaromatic molecular structures with controllable electron conducting properties E I DU PONT DE NEMOURS AND COMPANY (US) 2015-10-27 US disclosed
US-20150275076-A1 Non-crystallizable Pi-conjugated Molecular Glass Mixtures, Charge Transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications Molaire Consulting 2015-10-01 US disclosed
WO-2004072205-A2 CARBAZOLE COMPOUNDS AND USE OF SUCH COMPOUNDS IN ORGANIC ELECTROLUMINESCENT DEVICES KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2004-08-26 WO disclosed
WO-2003050086-A1 2, 7 - SUBSTITUTED CARBAZOLES AND OLIGOMERS, POLYMERS AND CO-POLYMERS THEREOF THE UNIVERSITY OF SHEFFIELD (GB) 2003-06-19 WO disclosed
US-20020185635-A1 Polymeric fluorescent substance and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2002-12-12 US disclosed
EP-1253180-A2 Polymeric fluorescent substance and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-10-30 EP disclosed
US-6338909-B1 UNSATURATED AROMATIC LIGHT EMITTERS FOR DYE DEVELOPMENT SAMSUNG DISPLAY DEVICES CO., LTD. (KR) 2002-01-15 US disclosed
US-6107452-A Thermally and/or photochemically crosslinked electroactive polymers in the manufacture of opto-electronic devices INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2000-08-22 US disclosed
US-5856434-A Use of polymers containing isolated chromophores as electroluminescence materials HOECHST AKTIENGESELLSCHAFT (DE) 1999-01-05 US disclosed
EP-0719309-B1 USE OF POLYMERS WITH ISOLATED CHROMOPHORES AS ELECTROLUMINESCENT MATERIALS HOECHST AG (DE) 1998-12-02 EP disclosed
EP-0719309-A1 USE OF POLYMERS WITH ISOLATED CHROMOPHORES AS ELECTROLUMINESCENT MATERIALS HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-03 EP disclosed
WO-1995007955-A1 USE OF POLYMERS WITH ISOLATED CHROMOPHORES AS ELECTROLUMINESCENT MATERIALS HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-23 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-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE ERG28, CYP51A1, MANBA DGAT1 1180/4885NPC1 62/4885RAB9A 2076/4885

“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.