SCHEMBL7053633

SCHEMBL7053633

CSc1ccnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.47
SLC22A12 Q96S37 2/20 0.46
HTR1A P08908 2/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 2/20 0.41
MAPK14 Q16539 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
PTK2B Q14289 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FERMT2 Q96AC1 1/20 0.40

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
SCHEMBL15700707 0.86 MAPT (0.52) NCF1SLC22A12MAPTKDM4ENPC1
SCHEMBL6248338 0.80 NCF1 (0.47) NCF1LOXL2SLC22A12HTR1AADRA1D
SCHEMBL21082253 0.79 NCF1 (0.50) NCF1LOXL2SLC22A12HTR1AADRA1D
SCHEMBL21852297 0.79 NCF1 (0.46) NCF1LOXL2SLC22A12HTR1AADRA1D
SCHEMBL2816694 0.79 LOXL2 (0.47) NCF1LOXL2SLC22A12HTR1AADRA1D
SCHEMBL3790696 0.76 SLC22A12 (0.49) SLC22A12MAPTALDH1A1ALOX15MAPK1
SCHEMBL27997805 0.76 NCF1 (0.56) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL28446212 0.75 ALDH1A1 (0.38) NCF1HTR2CHTR2BMAPTKDM4E
SCHEMBL22288152 0.73 KDM4E (0.45) NCF1MAPTKDM4ECYP1A2CYP2C19
SCHEMBL8908139 0.73 HTR1A (0.47) NCF1LOXL2SLC22A12HTR1AADRA1D

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023027630-A9 A FLOW REACTOR, METHODS OF FABRICATION AND REACTIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-07-27 WO claimed
WO-2023027630-A2 A FLOW REACTOR, METHODS OF FABRICATION AND REACTIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-03-02 WO claimed
WO-2023027630-A9 A FLOW REACTOR, METHODS OF FABRICATION AND REACTIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-07-27 WO disclosed
WO-2023027630-A2 A FLOW REACTOR, METHODS OF FABRICATION AND REACTIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-03-02 WO disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
WO-2022089406-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海青煜医药科技有限公司 2022-05-05 WO disclosed
WO-2021107872-A1 COMPOSITES, METHODS AND USES THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2021-06-03 WO disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
WO-2020072656-A1 IMIDOZOPYRIMIDINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2020-04-09 WO disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
EP-0985674-B1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR ALPHA-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING ALPHA-OLEFIN POLYMERS MITSUBISHI CHEM CORP (JP) 2003-04-23 EP disclosed
US-6255515-B1 COORDINATION POLYMERIZATION CATALYSTS MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-03 US disclosed
EP-0985674-A1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR $g(a)-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING $g(a)-OLEFIN POLYMERS MITSUBISHI CHEMICAL CORPORATION (JP) 2000-03-15 EP 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 NCF1 1036/4885LOXL2 2849/4885SLC22A12 4536/4885

“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.