Sugi Predict

Sugi Predict / Compounds / SCHEMBL6069475

SCHEMBL6069475

SCHEMBL6069475

Nc1ccc(F)c(N)c1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 1/20 0.41
▸ HTR2A P28223 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LOXL2 Q9Y4K0 2/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LTB4R Q15722 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL11901755 0.85 CALM1 (0.41) CALM1HTR2ASMN1; SMN2LOXL2CYP2A6
SCHEMBL6069155 0.85 CYP3A4 (0.48) LOXL2TAAR1ALDH1A1MAOAMAOB
SCHEMBL6069526 0.82 MAOB (0.42) TAAR1ALDH1A1MAOAMAOB
SCHEMBL1498780 0.81 CALM1 (0.55) CALM1HTR2ASMN1; SMN2LOXL2CYP2A6
SCHEMBL6069173 0.79 TAAR1 (0.35) SMN1; SMN2TAAR1ALDH1A1MEN1LMNA
SCHEMBL11015096 0.78 KDM4E (0.46) CALM1HTR2ASMN1; SMN2LOXL2CYP2A6
SCHEMBL20526993 0.77 CALM1 (0.41) CALM1SMN1; SMN2ALDH1A1LTA4HPOLB
SCHEMBL28852466 0.76 ALDH1A1 (0.42) CALM1SMN1; SMN2ALDH1A1LTA4HMEN1
SCHEMBL29974970 0.76 ALDH1A1 (0.42) CALM1SMN1; SMN2ALDH1A1LTA4HMEN1
SCHEMBL6557214 0.74 CALM1 (0.52) CALM1HTR2ASMN1; SMN2LOXL2ALDH1A1

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 CALM1 488/4885HTR2A 4457/4885SMN1; SMN2 2469/4885

“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.