SCHEMBL2456852

SCHEMBL2456852

O=C(O)NCc1ccccc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
RIPK1 Q13546 1/20 0.58
ALDH1A1 P00352 3/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
LMNA P02545 1/20 0.54
P2RX7 Q99572 4/20 0.51
MAPT P10636 1/20 0.50
ANPEP P15144 1/20 0.50
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
EPHX2 P34913 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL16234802 0.85 KMT2A (0.45) KMT2ARIPK1ALDH1A1NPC1RAB9A
SCHEMBL29935885 0.85 CYP1A2 (0.55) KMT2AALDH1A1NPC1RAB9ALMNA
SCHEMBL9156343 0.85 CYP1A2 (0.55) KMT2AALDH1A1NPC1RAB9ALMNA
SCHEMBL2905172 0.83 KMT2A (0.77) KMT2ARIPK1ALDH1A1LMNAMAPT
SCHEMBL21437367 0.83 CA2 (0.50) KMT2ARIPK1ALDH1A1NPC1RAB9A
SCHEMBL17646067 0.83 RIPK1 (0.46) KMT2ARIPK1ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL11157053 0.83 CYP1A2 (0.53) KMT2AALDH1A1NPC1RAB9ALMNA
SCHEMBL102342 0.82 RIPK1 (0.61) KMT2ARIPK1ALDH1A1NPC1RAB9A
SCHEMBL5797350 0.82 KMT2A (0.57) KMT2ARIPK1ALDH1A1NPC1RAB9A
SCHEMBL25367837 0.82 CYP1A2 (0.46) KMT2ARIPK1ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4385978-A1 POLYCYCLIC COMPOUND AND USE THEREOF TYK Medicines Inc. (CN) 2024-06-19 EP disclosed
US-20240083857-A1 2-Methyl-Quinazolines Bayer Pharma AG (DE) 2024-03-14 US disclosed
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2024-01-18 US disclosed
EP-4217353-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS Ermium Therapeutics (FR) 2023-08-02 EP disclosed
EP-3601267-A1 2-METHYL-QUINAZOLINES Bayer Pharma Aktiengesellschaft (DE) 2020-02-05 EP disclosed
US-10377748-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2019-08-13 US disclosed
US-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. 2019-04-18 US disclosed
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds Prosetta Antiviral, Inc. (US) 2019-02-05 US disclosed
WO-2018172250-A1 2-METHYL-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-09-27 WO disclosed
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 US disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
US-20080267970-A1 Sulfonamide Derivatives For The Treatment of Diseases BROWN ALAN DANIEL 2008-10-30 US disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US disclosed
EP-1708991-B1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2007-10-17 EP disclosed
EP-1708991-A2 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-10-11 EP disclosed
WO-2005080313-A9 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2006-08-31 WO disclosed
WO-2005080313-A2 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-09-01 WO disclosed
EP-1515967-A1 2-HETEROARYL CARBOXAMIDES Bayer HealthCare AG (DE) 2005-03-23 EP disclosed
WO-2003104227-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2003-12-18 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 (8 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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT KMT2A 780/4885RIPK1 3051/4885ALDH1A1 3748/4885
US-20240083857-A1 2-Methyl-Quinazolines NRAS, KRAS, KSR2 KMT2A 834/4885RIPK1 641/4885ALDH1A1 4417/4885
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds MAVS, EIF2AK2, POLRMT KMT2A 780/4885RIPK1 3051/4885ALDH1A1 3748/4885
US-10377748-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS KMT2A 3544/4885RIPK1 802/4885ALDH1A1 4316/4885
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCR1, CXCL12 KMT2A 4150/4885RIPK1 158/4885ALDH1A1 2260/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 KMT2A 3483/4885RIPK1 3934/4885ALDH1A1 315/4885
US-20080267970-A1 Sulfonamide Derivatives For The Treatment of Diseases SULT2A1, STS, SULT1A1 KMT2A 1600/4885RIPK1 3455/4885ALDH1A1 178/4885
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT KMT2A 780/4885RIPK1 3051/4885ALDH1A1 3748/4885

“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.