SCHEMBL2551371

SCHEMBL2551371

O=C(Cl)c1ccc(-c2ccccc2)nc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.73
BAZ2B Q9UIF8 1/20 0.63
HPGDS O60760 3/20 0.56
P4HTM Q9NXG6 3/20 0.52
P4HA1 P13674 1/20 0.52
NPC1 O15118 2/20 0.49
RXFP1 Q9HBX9 2/20 0.49
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NAPRT Q6XQN6 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL27584594 0.85 LDHA (0.79) LDHABAZ2BHPGDSP4HTMP4HA1
SCHEMBL505455 0.85 LDHA (1.00) LDHABAZ2BHPGDSP4HTMP4HA1
SCHEMBL3196986 0.84 P4HTM (0.64) LDHABAZ2BHPGDSP4HTMP4HA1
SCHEMBL30336313 0.84 P4HTM (0.64) LDHABAZ2BHPGDSP4HTMP4HA1
Hydrochloric Acid SCHEMBL18045639 0.83 LDHA (0.96) LDHABAZ2BHPGDSP4HTMP4HA1
SCHEMBL21480921 0.82 NPC1 (0.50) LDHABAZ2BHPGDSP4HTMP4HA1
SCHEMBL13100100 0.81 LDHA (0.73) LDHABAZ2BHPGDSP4HTMP4HA1
SCHEMBL1246554 0.81 LDHA (0.73) LDHABAZ2BHPGDSP4HTMP4HA1
SCHEMBL29586559 0.81 LDHA (0.73) LDHABAZ2BHPGDSP4HTMP4HA1
SCHEMBL28576114 0.81 P4HTM (0.70) LDHAHPGDSP4HTMP4HA1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11339169-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2022-05-24 US disclosed
US-11339169-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2022-05-24 US disclosed
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
US-11031562-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-08 US disclosed
EP-3507294-B1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-24 EP disclosed
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices MERCK PATENT GMBH 2021-01-12 US disclosed
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2003-01-23 US disclosed
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH 2003-01-09 US disclosed
WO-2002083683-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO disclosed
WO-2002083680-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO disclosed
WO-2002083678-A1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO disclosed
US-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 US disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed
CN-1024317-C Antifungal agents based on amides containing phenyl group RHONE POULENC AGROCHIMIE (FR) 1994-04-27 CN disclosed
CN-1040792-A ANTIFUNGAL AGENTS BASED ON AMIDES CONTAINING PHENYL GROUP RHONE POULENC AGROCHIMIE (FR) 1990-03-28 CN 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-11339169-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX6, P2RX2 LDHA 2283/4885BAZ2B 3714/4885HPGDS 1626/4885
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 LDHA 4563/4885BAZ2B 1137/4885HPGDS 990/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG LDHA 2820/4885BAZ2B 596/4885HPGDS 4674/4885
US-11031562-B2 Metal complexes AP1M1, SOD1, AP3M1 LDHA 1544/4885BAZ2B 855/4885HPGDS 4749/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 LDHA 1816/4885BAZ2B 1145/4885HPGDS 4680/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 LDHA 1816/4885BAZ2B 1145/4885HPGDS 4680/4885
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 LDHA 2139/4885BAZ2B 3449/4885HPGDS 520/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 LDHA 2122/4885BAZ2B 1652/4885HPGDS 4752/4885

“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.