SCHEMBL596040

SCHEMBL596040

Nc1ccnc2cc(Cl)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 1.00
SOS2 Q07890 1/20 1.00
CYP1A2 P05177 1/20 0.54
NCF1 P14598 1/20 0.53
FERMT2 Q96AC1 3/20 0.53
MAPT P10636 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
KMT2A Q03164 2/20 0.51
CCR1 P32246 1/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
CASP1 P29466 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
CHKA P35790 1/20 0.50
MEN1 O00255 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT5B Q4FZB7 1/20 0.47
KMT5C Q86Y97 1/20 0.47

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
SCHEMBL21101482 0.84 NR4A2 (1.00) NR4A2SOS2CYP1A2NCF1FERMT2
SCHEMBL16735795 0.83 NR4A2 (0.70) NR4A2SOS2CYP1A2FERMT2MAPT
SCHEMBL317202 0.79 NR4A2 (0.66) NR4A2SOS2CYP1A2NCF1FERMT2
SCHEMBL29396540 0.79 NR4A2 (0.66) NR4A2SOS2CYP1A2NCF1FERMT2
SCHEMBL3073397 0.79 NR4A2 (0.66) NR4A2SOS2NCF1MAPTKMT2A
SCHEMBL30044428 0.79 NR4A2 (0.66) NR4A2SOS2NCF1MAPTKMT2A
Hydrochloric Acid SCHEMBL11519956 0.78 NR4A2 (0.63) NR4A2SOS2CYP1A2NCF1FERMT2
Bromide SCHEMBL1611915 0.78 NR4A2 (0.63) NR4A2SOS2CYP1A2NCF1FERMT2
Bromide SCHEMBL1611919 0.78 NR4A2 (0.63) NR4A2SOS2CYP1A2NCF1FERMT2
SCHEMBL11774891 0.76 NR4A2 (0.61) NR4A2SOS2CYP1A2NCF1FERMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114933562-B Efficient preparation method of chloroquine based on (2-hydroxybenzyl) disubstituted phosphine oxide catalysis 华东理工大学 2024-07-23 CN claimed
EP-3481806-B1 4-ANILINO-QUINOLINE COMPOUNDS AS ANTI-CANCER AGENTS INST NAT SANTE RECH MED (FR) 2023-06-07 EP claimed
CN-114933562-A Efficient preparation method of chloroquine based on catalysis of (2-hydroxybenzyl) disubstituted phosphine oxide 华东理工大学 2022-08-23 CN claimed
CN-110862345-B Preparation method of salazosulfapyridine intermediate 苏州黄河制药有限公司 2022-03-11 CN claimed
EP-3675814-A1 COMPOSITION FOR TOPICAL TREATMENT OF NON-MICROORGANISM-CAUSED INFLAMMATORY SKIN AND MUCOUS-MEMBRANE DISEASES Bläss, Markus (DE) 2020-07-08 EP claimed
CN-110862345-A Preparation method of salazosulfapyridine intermediate 苏州黄河制药有限公司 2020-03-06 CN claimed
CN-107266323-B A kind of side chain and its synthetic method, and the method using side chain synthesis hydroxychloroquine sulfate 宜宾莱特医药化工有限公司 2019-04-19 CN claimed
WO-2019043064-A1 COMPOSITION FOR TOPICAL TREATMENT OF NON-MICROORGANISM-CAUSED INFLAMMATORY SKIN AND MUCOUS-MEMBRANE DISEASES BLAESS MARKUS (DE) 2019-03-07 WO claimed
CN-105693605-B A kind of method of asymmetric synthesis of optical voidness (R)/(S) chloroquine 西安科技大学 2017-12-22 CN claimed
CN-105693606-B A kind of method of asymmetric synthesis of optical voidness (R)/(S) HCQ 西安科技大学 2017-12-05 CN claimed
CN-101068821-A Hybrid QA molecules where Q is an aminoquinoline and A is an antibiotic residue, their synthesis and use as antibacterial agents PALUMED SA (FR) 2007-11-07 CN claimed
WO-2007098047-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PARKINSON'S DISEASE THE MCLEAN HOSPITAL CORPORATION (US) 2007-08-30 WO claimed
EP-1771456-A2 HYBRID QA MOLECULES WHEREIN Q IS AN AMINOQUINOLINE AND A IS AN ANTIBIOTIC RESIDUE, THEIR SYNTHESIS AND THEIR USES AS ANTIBACTERIAL AGENT Palumed SA (FR) 2007-04-11 EP claimed
US-20070060558-A1 Hybrid molecules QA where Q is an aminoquinoline and A is an antibiotic residue, the synthesis and uses thereof as antibacterial agents PALUMED S.A. (FR) 2007-03-15 US claimed
WO-2006024741-A2 HYBRID QA MOLECULES WHEREIN Q IS AN AMINOQUINOLINE AND A IS AN ANTIBIOTIC RESIDUE, THEIR SYNTHESIS AND THEIR USES AS ANTIBACTERIAL AGENT PALUMED S.A. (FR) 2006-03-09 WO claimed
WO-2003078436-A1 PORPHYRIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2003-09-25 WO claimed
EP-0998946-A1 Non-porphyrin compound for use as a diagnosticum and/or pharmaceutical K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2000-05-10 EP claimed
WO-2000009169-A1 NON-PORPHYRIN COMPOUND FOR USE AS A DIAGNOSTICUM AND/OR PHARMACEUTICAL K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2000-02-24 WO claimed
US-5736557-A MICROBIOCIDE EFFECTIVE AGAINST CHLOROQUINE-RESISTANT AND CHLOROQUINE-SENSITIVE STRAINS OF PLASMODIUM FALCIPARUM HOFFMAN-LA ROCHE, INC. (US) 1998-04-07 US claimed
EP-0056766-B1 PROCESS FOR THE PREPARATION OF 4-AMINO-CHLOROQUINOLINES RHONE-POULENC SANTE (FR) 1984-05-16 EP claimed

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-20070060558-A1 Hybrid molecules QA where Q is an aminoquinoline and A is an antibiotic residue, the synthesis and uses thereof as antibacterial agents QARS1, QPCT, QTRT2 NR4A2 3836/4885SOS2 3006/4885CYP1A2 284/4885

“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.