SCHEMBL3958516

SCHEMBL3958516

O=C1C=CC(=O)c2[nH][c]cc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
CDC25B P30305 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
AKT1 P31749 1/20 0.36
SNCA P37840 1/20 0.36
MAP2K1 Q02750 1/20 0.36
PIN1 Q13526 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
NSD1 Q96L73 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36

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
SCHEMBL1650480 0.62 IDO1 (1.00) IDO1CDC25BMAOAMAOBAKT1
SCHEMBL10904924 0.60 CDC25B (0.47) IDO1CDC25BMAOAMAOBAKT1
SCHEMBL11831515 0.59 IDO1 (0.43) IDO1CDC25BMAOAMAOBAKT1
SCHEMBL6407655 0.59 IDO1 (0.54) IDO1CDC25BMAOAMAOBAKT1
Naphthoquinone SCHEMBL14763779 0.58 IDO1 (0.93) IDO1CDC25BMAOAMAOBAKT1
SCHEMBL12390669 0.57 IDO1 (0.41) IDO1CDC25BMAOAMAOBAKT1
Naphthoquinone SCHEMBL14764194 0.56 CDC25B (0.88) IDO1CDC25BMAOAMAOBAKT1
SCHEMBL7400922 0.55 CDC25B (0.48) IDO1CDC25BMAOAMAOBAKT1
Naphthoquinone SCHEMBL11359780 0.54 IDO1 (1.00) IDO1CDC25BMAOAMAOBAKT1
Naphthoquinone SCHEMBL8861335 0.54 IDO1 (1.00) IDO1CDC25BMAOAMAOBAKT1

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
US-11130737-B2 Multifunctional aminoquinoline therapeutic agents LOHOCLA RESEARCH CORPORATION (US) 2021-09-28 US disclosed
EP-3846813-A1 ANALGESIC COMPOSITIONS Lohocla Research Corporation (US) 2021-07-14 EP disclosed
US-20200095204-A1 MULTIFUNCTIONAL AMINOQUINOLINE THERAPEUTIC AGENTS LOHOCLA RESEARCH CORPORATION 2020-03-26 US disclosed
US-10435371-B2 Multifunctional aminoquinoline therapeutic agent LOHOCLA RESEARCH CORPORATION (US) 2019-10-08 US disclosed
US-10391088-B2 Analgesic compositions LOHOCLA RESEARCH CORPORATION (US) 2019-08-27 US disclosed
US-20190099412-A1 ANALGESIC COMPOSITIONS LOHOCLA RESEARCH CORPORATION 2019-04-04 US disclosed
US-20190092731-A1 MULTIFUNCAIONAL AMINOQUINOLINE THERAPEUTIC AGENT LOHOCLA RESEARCH CORPORATION 2019-03-28 US disclosed
US-10112905-B2 Multifunctional aminoquinoline therapeutic agents LOHOCLA RESEARCH CORPORATION (US) 2018-10-30 US disclosed
US-20170204064-A1 MULTIFUNCTIONAL AMINOQUINOLINE THERAPEUTIC AGENTS LOHOCLA RESEARCH CORPORATION 2017-07-20 US disclosed
EP-3157523-A1 MULTIFUNCTIONAL AMINOQUINOLINE THERAPEUTIC AGENTS Lohocla Research Corporation (US) 2017-04-26 EP disclosed
WO-2015195943-A1 MULTIFUNCTIONAL AMINOQUINOLINE THERAPEUTIC AGENTS LOHOCLA RESEARCH CORPORATION (US) 2015-12-23 WO disclosed
US-20090227652-A1 INDOLE DERIVATIVES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-09-10 US disclosed
EP-1863762-A4 INDOLE DERIVATIVES AND METHODS OF USING THE SAME UNIV COLORADO (US) 2009-07-15 EP disclosed
EP-1863762-A1 INDOLE DERIVATIVES AND METHODS OF USING THE SAME The Regents of the University of Colorado (US) 2007-12-12 EP disclosed
WO-2006098884-A1 INDOLE DERIVATIVES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2006-09-21 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 (9 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-11130737-B2 Multifunctional aminoquinoline therapeutic agents OPRK1, OPRM1, OPRD1 IDO1 845/4885CDC25B 2967/4885MAOA 194/4885
US-20090227652-A1 INDOLE DERIVATIVES AND METHODS OF USING THE SAME IDO1, IDO2, INMT IDO1 1/4885CDC25B 1747/4885MAOA 76/4885
US-20200095204-A1 MULTIFUNCTIONAL AMINOQUINOLINE THERAPEUTIC AGENTS OPRK1, OPRM1, OPRD1 IDO1 845/4885CDC25B 2967/4885MAOA 194/4885
US-10391088-B2 Analgesic compositions OPRK1, OPRL1, OPRM1 IDO1 133/4885CDC25B 4214/4885MAOA 39/4885
US-20190099412-A1 ANALGESIC COMPOSITIONS OPRK1, OPRL1, OPRM1 IDO1 133/4885CDC25B 4214/4885MAOA 39/4885
US-20190092731-A1 MULTIFUNCAIONAL AMINOQUINOLINE THERAPEUTIC AGENT OPRK1, OPRL1, PNMT IDO1 1353/4885CDC25B 3164/4885MAOA 178/4885
US-20170204064-A1 MULTIFUNCTIONAL AMINOQUINOLINE THERAPEUTIC AGENTS OPRK1, OPRM1, OPRD1 IDO1 1027/4885CDC25B 2592/4885MAOA 334/4885
US-10435371-B2 Multifunctional aminoquinoline therapeutic agent OPRK1, OPRM1, OPRD1 IDO1 908/4885CDC25B 3182/4885MAOA 169/4885
US-10112905-B2 Multifunctional aminoquinoline therapeutic agents OPRK1, OPRM1, OPRD1 IDO1 1027/4885CDC25B 2592/4885MAOA 334/4885

“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.