Sugi Predict

Sugi Predict / Compounds / SCHEMBL6069155

SCHEMBL6069155

SCHEMBL6069155

Nc1ccc(Cc2c(N)ccc(F)c2N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ GFER P55789 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ CYP17A1 P05093 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ MAOB P27338 4/20 0.34
▸ MAOA P21397 2/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33

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 0.85 CALM1 (0.41) ALDH1A1LOXL2MAOBMAOATAAR1
SCHEMBL4528900 0.81 CYP3A4 (0.65) CYP3A4ALDH1A1TSHRTDP1GFER
SCHEMBL6069526 0.79 MAOB (0.42) CYP3A4ALDH1A1CYP19A1CYP11B1CYP11B2
SCHEMBL10702996 0.77 CYP3A4 (0.48) CYP3A4ALDH1A1TSHRTDP1GFER
SCHEMBL6069199 0.73 CYP19A1 (0.49) CYP3A4ALDH1A1TSHRTDP1CYP19A1
SCHEMBL10702190 0.73 CYP3A4 (0.59) CYP3A4ALDH1A1TSHRTDP1GFER
SCHEMBL2990081 0.72 CYP3A4 (0.52) CYP3A4ALDH1A1TSHRTDP1GFER
SCHEMBL6069173 0.72 TAAR1 (0.35) CYP3A4ALDH1A1TAAR1L3MBTL1
Hydrochloric Acid SCHEMBL2988167 0.71 CYP3A4 (0.50) CYP3A4ALDH1A1TSHRTDP1GFER
SCHEMBL3866932 0.70 TAAR1 (0.39) CYP3A4ALDH1A1TSHRTDP1TAAR1

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 CYP3A4 2664/4885ALDH1A1 601/4885TSHR 4845/4885

“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.