SCHEMBL4653754

SCHEMBL4653754

Cc1cc(N(C)C)nc(N)[n+]1[O-]

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
NUDT1 P36639 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMPD3 Q9NY59 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL8689374 0.80 KDM4E (0.45) TSHRKMT2A
SCHEMBL11209326 0.75 NOS3 (0.38) TSHR
SCHEMBL8687025 0.75 TSHR (0.34) TSHR
Hydrochloric Acid SCHEMBL8689555 0.74 TSHR (0.33) TSHR
SCHEMBL9121138 0.73 NUDT1 (0.38) TSHRNUDT1MEN1KMT2ASMPD3
SCHEMBL8598479 0.73 NUDT1 (0.36) NUDT1
SCHEMBL8599872 0.73 NUDT1 (0.36) NUDT1
SCHEMBL6472858 0.72 TSHR (0.35) TSHR
SCHEMBL8687196 0.72 TSHR (0.35) TSHRKMT2A
SCHEMBL6404443 0.71 DNM2 (0.37) NUDT1

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
EP-1602354-B1 Use of polyglutamic acid or its salts MEIJI SEIKA KAISHA (JP) 2008-11-05 EP disclosed
EP-1604647-B1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof CHISSO CORP (JP) 2008-05-07 EP disclosed
US-20060165636-A1 Hair treatment composition and hair cosmetic for damaged hair MEIJI SEIKA KAISHA, LTD. (JP) 2006-07-27 US disclosed
US-20060018867-A1 Cosmetic composition and production thereof ICHIMARU PHARCOS CO., LTD 2006-01-26 US disclosed
EP-1604647-A1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof Ichimaru Pharcos Co., Ltd. (JP) 2005-12-14 EP disclosed
EP-1602354-A1 HAIR TREATMENT COMPOSITION AND HAIR COSMETIC FOR DAMAGED HAIR Meiji Seika Kaisha, Ltd. (JP) 2005-12-07 EP disclosed
US-5760043-A USING 2-AMINOPYRIDINE-3-OXIDE L'OREAL (FR) 1998-06-02 US disclosed
US-5610302-A TREATMENT OF DISEASES OF SCALP DERMATITIS L'OREAL (FR) 1997-03-11 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-20060165636-A1 Hair treatment composition and hair cosmetic for damaged hair CUTA, COL14A1, PRKDC TSHR 2220/4885NUDT1 4755/4885MEN1 2813/4885
US-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR TSHR 3312/4885NUDT1 3262/4885MEN1 1028/4885

“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.