SCHEMBL5164404

SCHEMBL5164404

Nc1ccc(CC(=O)Nc2ccccc2F)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
POLB P06746 3/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 3/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
TSHR P16473 2/20 0.45
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
NCOR2 Q9Y618 1/20 0.43
MEN1 O00255 1/20 0.43
HDAC4 P56524 1/20 0.43

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
SCHEMBL5159609 0.84 MAPT (0.53) RAB9ALMNAKMT2ASMN1; SMN2MAPT
SCHEMBL5162173 0.83 KMT2A (0.51) RAB9AKMT2AALDH1A1GAANPC1
SCHEMBL5163562 0.83 HPGD (0.56) RAB9ALMNASMN1; SMN2MAPTALDH1A1
SCHEMBL5163509 0.83 KMT2A (0.52) RAB9ALMNAKMT2AMAPTALDH1A1
SCHEMBL5161573 0.83 POLB (0.51) RAB9APOLBLMNAKMT2ASMN1; SMN2
SCHEMBL5164374 0.80 GAA (0.51) RAB9APOLBLMNAKMT2AMAPT
SCHEMBL5161574 0.80 KCNQ2 (0.54) POLBMAPTALDH1A1GAACA12
SCHEMBL5163481 0.80 TSHR (0.56) POLBLMNAKMT2ASMN1; SMN2MAPT
SCHEMBL5162952 0.80 CYP1A2 (0.54) LMNAKMT2ASMN1; SMN2MAPTHDAC3
SCHEMBL5163655 0.80 RAB9A (0.48) RAB9APOLBLMNAKMT2ASMN1; SMN2

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-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US claimed
WO-2007026312-A1 1,3-DIAMINOBENZENE DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO claimed
EP-1760072-A1 1,3-diaminobenzene derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-07 EP claimed
US-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US disclosed
WO-2007026312-A1 1,3-DIAMINOBENZENE DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO disclosed
EP-1760072-A1 1,3-diaminobenzene derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-07 EP 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-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds KRT18, DSP, DSG1 RAB9A 4739/4885POLB 1150/4885LMNA 2461/4885

“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.