SCHEMBL4928241

SCHEMBL4928241

Nc1ccc(NC(CO)CCO)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.46
FFAR4 Q5NUL3 1/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
POLB P06746 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
CA1 P00915 1/20 0.39
MMP2 P08253 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL7086008 0.82 HTT (0.54) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL3908874 0.81 ALDH1A1 (0.52) MAPTALDH1A1KMT2ATDP1POLB
SCHEMBL111190 0.76 MAPT (0.50) ADRB2FFAR4MAPTALDH1A1MEN1
SCHEMBL209875 0.76 TSHR (0.51) ADRB2FFAR4MAPTALDH1A1MEN1
SCHEMBL8608887 0.72 KMT2A (0.53) FFAR4MAPTALDH1A1MEN1KMT2A
SCHEMBL11141519 0.71 MEN1 (0.55) FFAR4MAPTALDH1A1MEN1KMT2A
SCHEMBL3859488 0.71 ALDH1A1 (0.54) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL8318543 0.71 EGFR (0.48) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL8641030 0.71 HCAR3 (0.49) MAPTALDH1A1TDP1POLBSMN1; SMN2
SCHEMBL8799847 0.71 ALDH1A1 (0.50) MAPTALDH1A1KMT2ATDP1POLB

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
WO-2003099242-A1 COSMETIC AGENTS CONTAINING PROTEIN DISULFIDE ISOMERASE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-12-04 WO claimed
US-8992633-B2 Disulfide dyes BASF SE (DE) 2015-03-31 US disclosed
US-20140157529-A1 DISULFIDE DYES BASF SE (DE) 2014-06-12 US disclosed
US-20080295260-A1 Disulfide Dyes, Composition Comprising them and Method of Dyeing Hair CIBA SPECIALTY CHEMICALS CORP. 2008-12-04 US disclosed
WO-2003099243-A1 COSMETIC AGENTS CONTAINING PROTEIN DISULFIDE ISOMERASE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-12-04 WO disclosed
WO-2003099242-A1 COSMETIC AGENTS CONTAINING PROTEIN DISULFIDE ISOMERASE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-12-04 WO 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-20080295260-A1 Disulfide Dyes, Composition Comprising them and Method of Dyeing Hair STS, CYP2S1, SQOR ADRB2 2349/4885FFAR4 4447/4885MAPT 4591/4885
US-20140157529-A1 DISULFIDE DYES KRT18, COL1A1, SULT1A1 ADRB2 3827/4885FFAR4 4782/4885MAPT 1432/4885

“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.