Sugi Predict

Sugi Predict / Compounds / SCHEMBL6069173

SCHEMBL6069173

SCHEMBL6069173

Nc1ccccc1Cc1c(N)ccc(F)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ AR P10275 1/20 0.34
▸ IDO1 P14902 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ FDPS P14324 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ AOC3 Q16853 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
SCHEMBL6069475 0.79 CALM1 (0.41) TAAR1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL890397 0.74 CYP3A4 (0.39) ALDH1A1L3MBTL1ARCYP3A4ALOX15
SCHEMBL10515673 0.74 TAAR1 (0.52) TAAR1ALDH1A1L3MBTL1NPC1HTT
SCHEMBL6069500 0.74 ALDH1A1 (0.46) TAAR1ALDH1A1L3MBTL1NPC1HTT
SCHEMBL11780183 0.73 TAAR1 (0.47) TAAR1ALDH1A1L3MBTL1NPC1HTT
SCHEMBL2992110 0.73 CYP3A4 (0.44) TAAR1ALDH1A1ARCYP3A4ALOX15
SCHEMBL29373097 0.72 CYP3A4 (0.53) ALDH1A1L3MBTL1NPC1RAB9AAR
SCHEMBL36019 0.72 CYP3A4 (0.53) ALDH1A1L3MBTL1NPC1RAB9AAR
Hydrochloric Acid SCHEMBL2981068 0.72 CYP3A4 (0.43) TAAR1ALDH1A1ARCYP3A4ALOX15
SCHEMBL6069155 0.72 CYP3A4 (0.48) TAAR1ALDH1A1L3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074243-B2 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AG (DE) 2006-07-11 — — US claimed
CN-1529691-A N-benzyl-m-phenylenediamine derivatives and colorants containing these compounds P&G 2004-09-15 — — CN claimed
US-20030182735-A1 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2003-10-02 — — US claimed
US-7074243-B2 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AG (DE) 2006-07-11 — — US disclosed
CN-1529691-A N-benzyl-m-phenylenediamine derivatives and colorants containing these compounds P&G 2004-09-15 — — CN disclosed
US-20030182735-A1 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2003-10-02 — — 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 (1 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-20030182735-A1 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds KRT18, VIM, KPNB1 TAAR1 3006/4885ALDH1A1 601/4885L3MBTL1 3589/4885

“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.