SCHEMBL531907

SCHEMBL531907

CC(=O)Nc1ccc2c(c1)CNC2

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
ADRA2A P08913 1/20 0.55
MAOA P21397 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR2C P28335 1/20 0.55
SLC6A4 P31645 1/20 0.55
HTR2B P41595 1/20 0.55
ITGB3 P05106 2/20 0.54
ITGA2B P08514 2/20 0.54
CHRNB2 P17787 1/20 0.53
CHRNA4 P43681 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
BAZ2B Q9UIF8 1/20 0.50

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
Hydrochloric Acid SCHEMBL4761772 0.98 ITGB3 (0.55) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL7903531 0.87 F2 (0.56) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL3891388 0.87 MELK (0.63) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL31174281 0.87 MELK (0.63) CYP1A2ADRA2AMAOASLC6A2HTR2C
Hydrochloric Acid SCHEMBL31174279 0.85 F2 (0.55) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL12501320 0.84 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL4712303 0.83 MEN1 (0.54) ITGB3ITGA2B
SCHEMBL29606520 0.82 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL7904909 0.81 RAB9A (0.67) CYP1A2ITGB3ITGA2BNPC1RAB9A
SCHEMBL12545626 0.81 KMT2A (0.67) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026106389-A1 NMT INHIBITOR AND USE THEREOF 주식회사 이노보테라퓨틱스 2026-05-21 WO claimed
WO-2026106389-A1 NMT INHIBITOR AND USE THEREOF 주식회사 이노보테라퓨틱스 2026-05-21 WO disclosed
WO-2023109944-A1 TLR MODULATOR AND USE THEREOF 映恩生物制药(苏州)有限公司 2023-06-22 WO disclosed
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP disclosed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 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 (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-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 CYP1A2 2442/4885ADRA2A 4023/4885MAOA 745/4885

“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.