SCHEMBL6954997

SCHEMBL6954997

Cc1ccccc1NCCN

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.75
HTT P42858 2/20 0.75
CA12 O43570 1/20 0.55
CA3 P07451 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
ALDH1A1 P00352 4/20 0.53
TSHR P16473 1/20 0.53
RECQL P46063 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GAA P10253 2/20 0.49
ADRA2C P18825 3/20 0.47
IDO1 P14902 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7559659 0.88 MAPT (0.76) MAPTHTTCA12CA3CA4
SCHEMBL29379717 0.86 MAPT (1.00) MAPTHTTALDH1A1TSHRGAA
SCHEMBL76608 0.86 MAPT (1.00) MAPTHTTALDH1A1TSHRGAA
SCHEMBL7149996 0.86 MAPT (0.73) MAPTHTTCA12CA3CA4
SCHEMBL18389925 0.84 MAPT (0.70) MAPTHTTCA12CA3CA4
Hydrochloric Acid SCHEMBL2342540 0.84 MAPT (0.95) MAPTHTTALDH1A1TSHRGAA
SCHEMBL30525803 0.84 MAPT (0.95) MAPTHTTALDH1A1TSHRGAA
SCHEMBL7996193 0.83 MAPT (0.52) MAPTHTTCA12CA3CA4
SCHEMBL10113252 0.82 MAPT (0.67) MAPTHTTALDH1A1TSHRGAA
SCHEMBL22171683 0.80 CA12 (0.62) MAPTHTTCA12CA3CA4

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
CN-117567294-A Preparation method of anti-aging agent N-phenyl-N' - (1-methyl-2-phenyl) ethyl p-phenylenediamine 山东阳谷华泰化工股份有限公司 2024-02-20 CN claimed
CN-117567294-A Preparation method of anti-aging agent N-phenyl-N' - (1-methyl-2-phenyl) ethyl p-phenylenediamine 山东阳谷华泰化工股份有限公司 2024-02-20 CN disclosed
CN-117567294-A Preparation method of anti-aging agent N-phenyl-N' - (1-methyl-2-phenyl) ethyl p-phenylenediamine 山东阳谷华泰化工股份有限公司 2024-02-20 CN disclosed
WO-2021116686-A1 METHYL 2-ALLYL-1 -METHYL-3-OXOINDOLINE-2-CARBOXYLATE AND 9A-ALLYL-1,2,3,9A-TETRAHYDRO-9H-PYRROLO[1,2-A]INDOL-9-ONE DERIVATIVES AND RELATED COMPOUNDS FOR USE AS FLUORESCENT MARKERS FOR LABELLING OF DRUGS, AMINO ACIDS AN PROTEINS UNIVERSITY OF LANCASTER (GB) 2021-06-17 WO disclosed
US-9637489-B2 Immune system modulators JANUS BIOTHERAPEUTICS, INC. (US) 2017-05-02 US disclosed
US-9353115-B2 Immune system modulators JANUS BIOTHERAPEUTICS, INC. (US) 2016-05-31 US disclosed
EP-2713737-B1 NOVEL IMMUNE SYSTEM MODULATORS JANUS BIOTHERAPEUTICS INC (US) 2016-04-20 EP disclosed
US-20140107115-A1 NOVEL IMMUNE SYSTEM MODULATORS JANUS BIOTHERAPEUTICS, INC. (US) 2014-04-17 US disclosed
US-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 US disclosed
WO-2011023677-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2011-03-03 WO disclosed
CN-101394830-A Cosmetic agents comprising purine and/or purine derivatives I HENKEL KGAA (DE) 2009-03-25 CN disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP disclosed
US-6294615-B1 AS FLOCCULATING AGENT FOR ORGANIC SLUDGE TOSCH CORPORATION (JP) 2001-09-25 US disclosed
CN-1051670-A Contain the dyeing composition for keratinous fibres of oxidation dye parent and amino indole colour former, the colouring method that uses these compositionss and noval chemical compound OREAL (FR) 1991-05-29 CN disclosed
US-4356322-A ADRENERGIC STIMULANTS; CARDIOTONIC AGENTS VEB ARZNEIMITTELWERK DRESDEN (DD) 1982-10-26 US 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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 MAPT 582/4885HTT 82/4885CA12 4681/4885
US-20140107115-A1 NOVEL IMMUNE SYSTEM MODULATORS HLA-DRB1, CD47, MYD88 MAPT 2510/4885HTT 2763/4885CA12 1694/4885

“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.