SCHEMBL4777973

SCHEMBL4777973

CCc1ccccc1-c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
LMNA P02545 3/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
CYP1A2 P05177 2/20 0.50
POLB P06746 1/20 0.50
METAP1 P53582 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
DOHH Q9BU89 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
GRM5 P41594 2/20 0.49
ADORA2A P29274 1/20 0.45
BRD4 O60885 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.44
TP53 P04637 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 2/20 0.43
HTT P42858 2/20 0.43

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
SCHEMBL28444772 0.86 NR1H2 (0.47) CYP1A2GRM5CYP2D6CYP19A1CYP2C9
SCHEMBL21091019 0.85 GRM5 (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL14678660 0.85 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL24888335 0.83 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL21666537 0.83 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL12558190 0.83 KDM4E (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4725082 0.82 CYP1A2 (0.49) KDM4ELMNACCR1CCR5CCR8
SCHEMBL2529950 0.81 GRM5 (0.60) CYP1A2GRM5BRD4CYP2D6CYP19A1
SCHEMBL12164836 0.80 NPC1 (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL23346997 0.80 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230225184-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-07-13 US disclosed
US-20230200211-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-06-22 US disclosed
EP-4016656-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2022-06-22 EP disclosed
CN-112759580-B Preparation method of chroman-4-one and derivatives thereof 河南大学 2022-05-17 CN disclosed
EP-3330262-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE CONTAINING SAME LG CHEMICAL LTD (KR) 2021-07-28 EP disclosed
WO-2021006532-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME 주식회사 엘지화학 2021-01-14 WO disclosed
US-10487099-B2 Synthesis of hypervalent iodine reagents with dioxygen THE TEXAS A&M UNIVERSITY SYSTEM (US) 2019-11-26 US disclosed
US-20190002487-A1 SYNTHESIS OF HYPERVALENT IODINE REAGENTS WITH DIOXYGEN THE TEXAS A&M UNIVERSITY SYSTEM (US) 2019-01-03 US disclosed
CN-104816104-B Ag balls, Ag cores ball, scaling powder coating Ag balls, scaling powder coating Ag cores ball, solder joints, forming solder, soldering paste 千住金属工业株式会社 2018-07-03 CN disclosed
US-9966538-B2 Compound, light-emitting element and electronic device comprising same LMS CO., LTD. (KR) 2018-05-08 US disclosed
EP-2313472-B1 AZAPYRENES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2012-08-15 EP disclosed
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 US disclosed
CN-101835745-A Method for producing disulfonic acid compound, asymmetric mannich catalyst, method for producing beta-aminocarbonyl derivative, and novel disulfonate UNIV NAGOYA NAT UNIV CORP 2010-09-15 CN disclosed
EP-1773877-B1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP disclosed
WO-2008024953-A2 TRANSITION METAL-CATALYZED ALKYLATION OF C-H BONDS WITH ORGANOBORON REAGENTS BRANDEIS UNIVERSITY (US) 2008-02-28 WO disclosed
WO-2008024953-A2 TRANSITION METAL-CATALYZED ALKYLATION OF C-H BONDS WITH ORGANOBORON REAGENTS BRANDEIS UNIVERSITY (US) 2008-02-28 WO disclosed
WO-2007140284-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO disclosed
WO-2006127948-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 WO disclosed
US-6686345-B2 INCLUDES AN AZA-ENEDIYNE, AZA-ENYNE ALLENE, OR AN AZA-DIALLENE; ARE PREFERABLY NON-HYDROLYZABLE, CATIONIC COMPOUNDS THAT BIND TO NUCLEIC ACIDS. RESEARCH DEVELOPMENT FOUNDATION 2004-02-03 US disclosed
US-20020132797-A1 DNA-cleaving antitumor agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-09-19 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 (6 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP KDM4E 2337/4885LMNA 3777/4885CCR1 3289/4885
US-20230225184-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ESRRG, TECR, OXSR1 KDM4E 2670/4885LMNA 2291/4885CCR1 1026/4885
US-20230200211-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OPRM1, OCIAD1 KDM4E 2956/4885LMNA 701/4885CCR1 934/4885
US-20190002487-A1 SYNTHESIS OF HYPERVALENT IODINE REAGENTS WITH DIOXYGEN TPO, HAO2, OGFOD1 KDM4E 2775/4885LMNA 4840/4885CCR1 4594/4885
US-20020132797-A1 DNA-cleaving antitumor agents DNASE1, DNASE1L3, DCLRE1B KDM4E 1073/4885LMNA 339/4885CCR1 3727/4885
US-10487099-B2 Synthesis of hypervalent iodine reagents with dioxygen TPO, HAO2, OGFOD1 KDM4E 2775/4885LMNA 4840/4885CCR1 4594/4885

“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.