SCHEMBL4830357

SCHEMBL4830357

CC[n+]1c(C)sc2ccc3ccccc3c21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ ITGB2 P05107 2/20 0.44
▸ ITGAM P11215 2/20 0.44
▸ MAPT P10636 6/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ PRNP P04156 1/20 0.36
▸ TSHR P16473 3/20 0.35
▸ CYP2A6 P11509 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34

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
Perchlorate SCHEMBL7256390 0.94 KDM4E (0.50) KDM4ERAB9ATDP1MEN1PKM
SCHEMBL4120155 0.85 MAPT (0.48) KDM4ERAB9ATDP1MEN1PKM
Iodide SCHEMBL7114184 0.81 KDM4E (0.43) KDM4ERAB9ATDP1MEN1PKM
SCHEMBL16791363 0.79 ITGB2 (0.51) KDM4ERAB9ATDP1MEN1PKM
SCHEMBL5157599 0.79 KDM4E (0.37) KDM4ERAB9ATDP1MEN1PKM
SCHEMBL7252269 0.78 KDM4E (0.56) KDM4ERAB9ATDP1MEN1PKM
SCHEMBL31623888 0.78 KDM4E (0.56) KDM4ERAB9ATDP1MEN1PKM
Water SCHEMBL10949547 0.76 MAPT (0.33) KDM4ERAB9ATDP1MEN1PKM
SCHEMBL2004920 0.76 MAPT (0.42) KDM4ERAB9ATDP1MEN1PKM
SCHEMBL7250099 0.76 MAPT (0.56) KDM4ETDP1MEN1PKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2826867-B1 Nucleic acid melting analysis with saturation dyes UNIV UTAH RES FOUND (US) 2020-06-03 — — EP disclosed
EP-2826867-A1 Nucleic acid melting analysis with saturation dyes University of Utah Research Foundation (US) 2015-01-21 — — EP disclosed
EP-2574678-B1 THIO-SUBSTITUTED METHINE DYES UNIV UTAH RES FOUND (US) 2014-09-10 — — EP disclosed
US-8702815-B2 Cyanoborate, fluoroalkylphosphate, fluoroalkylborate or imide dyes MERCK PATENT GMBH (DE) 2014-04-22 — — US disclosed
US-8702815-B2 Cyanoborate, fluoroalkylphosphate, fluoroalkylborate or imide dyes MERCK PATENT GMBH (DE) 2014-04-22 — — US disclosed
EP-2574678-A1 Thio-substituted methine dyes University of Utah Research Foundation (US) 2013-04-03 — — EP disclosed
US-20110190480-A1 CYANOBORATE, FLUOROALKYLPHOSPHATE, FLUOROALKYLBORATE OR IMIDE DYES IGNATYEV NIKOLAI MYKOLA 2011-08-04 — — US disclosed
US-20110190480-A1 CYANOBORATE, FLUOROALKYLPHOSPHATE, FLUOROALKYLBORATE OR IMIDE DYES IGNATYEV NIKOLAI MYKOLA 2011-08-04 — — US disclosed
US-7456281-B2 Nucleic acid melting analysis with saturation dyes IDAHO TECHNOLOGY, INC. 2008-11-25 — — US disclosed
US-20070020672-A1 Nucleic acid melting analysis with saturation dyes IDAHO TECHNOLOGY, INC. (US) 2007-01-25 — — US disclosed
EP-1056434-A1 DYEING METHOD USING A SPECIFIC CATIONIC DERIVATIVE AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE L'OREAL (FR) 2000-12-06 — — EP disclosed
WO-2000038639-A1 DYEING METHOD USING A SPECIFIC CATIONIC DERIVATIVE AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE L'OREAL (FR) 2000-07-06 — — 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 (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-20110190480-A1 CYANOBORATE, FLUOROALKYLPHOSPHATE, FLUOROALKYLBORATE OR IMIDE DYES ZAP70, MYLK3, KIT KDM4E 71/4885RAB9A 4068/4885TDP1 980/4885
US-20070020672-A1 Nucleic acid melting analysis with saturation dyes DNA2, POLL, POLRMT KDM4E 4756/4885RAB9A 4776/4885TDP1 92/4885

“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.

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