SCHEMBL429187

SCHEMBL429187

O=C(Nc1[c]cccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.48
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 2/20 0.47
SIRT1 Q96EB6 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
IDO1 P14902 1/20 0.47
ALOX15 P16050 1/20 0.47
CA9 Q16790 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL7641652 0.86 MEN1 (0.59) PTPN1KCNK3KCNK9NPC1RAB9A
SCHEMBL7641330 0.86 NPC1 (0.53) NPC1RAB9APOLBHDAC1HDAC6
SCHEMBL11490610 0.86 NPC1 (0.53) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5607153 0.83 LMNA (0.59) KCNK3NPC1RAB9AMEN1KMT2A
SCHEMBL10658120 0.83 KMT2A (0.49) PTPN1MEN1KMT2AMAPTPABPC1
SCHEMBL7640108 0.82 F10 (0.62) KCNK9NPC1RAB9AMEN1KMT2A
SCHEMBL10933418 0.82 CACNA1B (0.64) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL7645837 0.82 NPC1 (0.52) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL27888664 0.82 MEN1 (0.57) KCNK3KCNK9NPC1RAB9AMEN1
SCHEMBL6033544 0.82 SMN1; SMN2 (0.38) NPC1RAB9AMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117165966-A Method for constructing N-thioether substituted sulfoxide imine derivative through electrochemical promotion 桂林理工大学 2023-12-05 CN claimed
US-11834532-B2 Photoinitiators IGH RESINS ITALIA S.R.L. (IT) 2023-12-05 US claimed
EP-3902878-A1 PHOTOINITIATORS IGM Resins Italia S.r.l. (IT) 2021-11-03 EP claimed
CN-113518805-A Photoinitiator 意大利艾坚蒙树脂有限公司 2021-10-19 CN claimed
WO-2020136522-A1 PHOTOINITIATORS IGM RESINS ITALIA S.R.L. (IT) 2020-07-02 WO claimed
US-9090776-B2 Squarylium dyes EXCITON, INC. (US) 2015-07-28 US claimed
US-20140061505-A1 SQUARYLIUM DYES EXCITON, INC. (US) 2014-03-06 US claimed
EP-2081933-B1 PYRAZOLOPYRIMIDINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-23 EP claimed
US-20090306107-A1 Organic Compounds NOVARTIS AG (CH) 2009-12-10 US claimed
US-20090286779-A1 PYRAZOLOPYRIMIDINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-11-19 US claimed
US-4140863-A 9,11-Dihalo-PG2 compounds THE UPJOHN COMPANY (US) 1979-02-20 US claimed
US-4136095-A ANTICOAGULATNS, HYPOTENSIVE AGENTS, ANTIHISTAMINES, DECONGESTANTS THE UPJOHN COMPANY (US) 1979-01-23 US claimed
US-4131738-A 6-Hydroxy-PGE1 compounds THE UPJOHN COMPANY (US) 1978-12-26 US claimed
US-4130720-A 9-Deoxy-9-methylene-PGF-p-substituted phenyl esters THE UPJOHN COMPANY (US) 1978-12-19 US claimed
US-4128713-A 6,7-Didehydro-PGI1 compounds THE UPJOHN COMPANY (US) 1978-12-05 US claimed
US-4126744-A PROSTACYCLIN, MUSCLE STIMULANTS, PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-11-21 US claimed
US-4112224-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1978-09-05 US claimed
US-4110532-A PROSTAGLANDINS, SMOOTH MUSCLE STIMULANTS THE UPJOHN COMPANY (US) 1978-08-29 US claimed
US-4109082-A PROSTACYCLIN ANALOGS; SMOOTH MUSCLE STIMULATORS THE UPJOHN COMPANY (US) 1978-08-22 US claimed
US-4097489-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-06-27 US 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 (2 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-20090286779-A1 PYRAZOLOPYRIMIDINES AS LIPID KINASE INHIBITORS ATR, ATM, CHEK1 PTPN1 449/4885KCNK3 2269/4885KCNK9 2782/4885
US-20090306107-A1 Organic Compounds BRAF, MAP3K1, RAF1 PTPN1 405/4885KCNK3 1776/4885KCNK9 2622/4885

“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.