SCHEMBL2202972

SCHEMBL2202972

NCc1ccc(/N=N/c2ccc(CN)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.56
NOS1 P29475 2/20 0.56
NOS2 P35228 2/20 0.56
HRH3 Q9Y5N1 1/20 0.55
LOXL2 Q9Y4K0 7/20 0.52
ABAT P80404 1/20 0.50
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TAAR1 Q96RJ0 1/20 0.46
F10 P00742 1/20 0.42
F11 P03951 1/20 0.42
PNMT P11086 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL2202977 1.00 NOS3 (0.56) NOS3NOS1NOS2HRH3LOXL2
SCHEMBL2203201 0.90 LOXL2 (0.59) NOS3NOS1NOS2HRH3LOXL2
SCHEMBL2203205 0.90 LOXL2 (0.59) NOS3NOS1NOS2HRH3LOXL2
Carbamic Acid SCHEMBL27880056 0.81 TRPA1 (0.52) NOS3NOS1NOS2LOXL2MEN1
SCHEMBL17777821 0.81 TRPA1 (0.62) NOS3NOS1NOS2LOXL2MEN1
SCHEMBL15828 0.80 HRH3 (0.79) NOS3NOS1NOS2HRH3LOXL2
SCHEMBL27238704 0.80 HRH3 (0.79) NOS3NOS1NOS2HRH3LOXL2
SCHEMBL24271721 0.79 NOS3 (0.40) NOS3NOS1NOS2HRH3LOXL2
SCHEMBL29085130 0.79 HTR2A (0.58) NOS3NOS1NOS2CA2
SCHEMBL27610122 0.79 NOS1 (0.48) NOS3NOS1NOS2HRH3LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890351-B2 Encapsulates THE PROCTER & GAMBLE COMPANY (US) 2018-02-13 US claimed
EP-2741731-B1 ENCAPSULATES PROCTER & GAMBLE (US) 2017-05-17 EP claimed
EP-2741731-A1 ENCAPSULATES The Procter and Gamble Company (US) 2014-06-18 EP claimed
US-20130039962-A1 ENCAPSULATES ENCAPSYS, LLC 2013-02-14 US claimed
WO-2013022949-A1 ENCAPSULATES THE PROCTER & GAMBLE COMPANY (US) 2013-02-14 WO claimed
US-9890351-B2 Encapsulates THE PROCTER & GAMBLE COMPANY (US) 2018-02-13 US disclosed
US-9890351-B2 Encapsulates THE PROCTER & GAMBLE COMPANY (US) 2018-02-13 US disclosed
US-9890351-B2 Encapsulates THE PROCTER & GAMBLE COMPANY (US) 2018-02-13 US disclosed
EP-2741731-B1 ENCAPSULATES PROCTER & GAMBLE (US) 2017-05-17 EP disclosed
EP-2741731-B1 ENCAPSULATES PROCTER & GAMBLE (US) 2017-05-17 EP disclosed
EP-2741731-A1 ENCAPSULATES The Procter and Gamble Company (US) 2014-06-18 EP disclosed
US-20130039962-A1 ENCAPSULATES ENCAPSYS, LLC 2013-02-14 US disclosed
US-20130039962-A1 ENCAPSULATES ENCAPSYS, LLC 2013-02-14 US disclosed
WO-2013022949-A1 ENCAPSULATES THE PROCTER & GAMBLE COMPANY (US) 2013-02-14 WO disclosed
US-7981968-B2 Photoresponsive polymer, built-up type diacetylene polymer, crystal of ammonium carboxylate, and method of manufacturing them JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-07-19 US disclosed
US-7750084-B2 Photoresponsive polymer, built-up type diacetylene polymer, crystal of ammonium carboxylate, and method for manufacturing them JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-07-06 US disclosed
US-20090253870-A1 Photoresponsive polymer,built-up type diacetylene polymer, crystal of ammonium carboxylate, and method of manufacturing them JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-10-08 US disclosed
EP-1431266-B1 PHOTORESPONSIVE POLYMER, BUILT-UP TYPE DIACETYLENE POLYMER, CRYSTALS OF AMMONIUM CARBOXYLATES, AND PROCESSES FOR PRODUCTION OF THEM JAPAN SCIENCE & TECH AGENCY (JP) 2006-07-19 EP disclosed
US-20050038284-A1 Photoresponsive polymer, built-up type diacetylene polymer, crystals of ammonium carboxylates, and processes for production of them JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-02-17 US disclosed
EP-1431266-A1 PHOTORESPONSIVE POLYMER, BUILT-UP TYPE DIACETYLENE POLYMER, CRYSTALS OF AMMONIUM CARBOXYLATES, AND PROCESSES FOR PRODUCTION OF THEM Japan Science and Technology Agency (JP) 2004-06-23 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 (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-20050038284-A1 Photoresponsive polymer, built-up type diacetylene polymer, crystals of ammonium carboxylates, and processes for production of them MUC1, DNAH12, ACMSD NOS3 4257/4885NOS1 3300/4885NOS2 2205/4885
US-20130039962-A1 ENCAPSULATES ABCB4, PPIB, FLNB NOS3 3575/4885NOS1 3213/4885NOS2 2680/4885

“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.