SCHEMBL14505293

SCHEMBL14505293

Cc1cc(C=C(Br)Br)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
MAPT P10636 4/20 0.47
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 3/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
CYP1A2 P05177 2/20 0.44
RECQL P46063 2/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EGFR P00533 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.40
ALDH5A1 P51649 1/20 0.40
ABAT P80404 1/20 0.40

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
SCHEMBL22288248 0.82 EGFR (0.59) TSHRMAPTALDH1A1CYP3A4HSD17B10
SCHEMBL5170549 0.81 MAPT (0.65) TSHRMAPTALDH1A1CYP3A4HSD17B10
SCHEMBL16958437 0.81 TSHR (0.54) TSHRMAPTALDH1A1CYP3A4HSD17B10
SCHEMBL27680960 0.79 MAPT (0.53) TSHRMAPTALDH1A1CYP3A4HSD17B10
SCHEMBL29952850 0.79 ALDH5A1 (0.58) TSHRMAPTALDH1A1CYP3A4HSD17B10
SCHEMBL1826371 0.79 ALDH5A1 (0.58) TSHRMAPTALDH1A1CYP3A4HSD17B10
SCHEMBL5458282 0.77 MAPT (0.51) TSHRMAPTALDH1A1CYP3A4HSD17B10
SCHEMBL2296668 0.77 MEN1 (0.58) TSHRMAPTALDH1A1CYP3A4HSD17B10
SCHEMBL2296673 0.77 MEN1 (0.58) TSHRMAPTALDH1A1CYP3A4HSD17B10
SCHEMBL16289927 0.74 TUBB1 (0.42) MAPTALDH1A1KDM4EPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099959-A1 O-Aminophenol derivatives and colorants containing these compounds THE PROCTER & GAMBLE COMPANY (US) 2007-05-03 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-20070099959-A1 O-Aminophenol derivatives and colorants containing these compounds KRT18, TYR, ALPG TSHR 4351/4885MAPT 964/4885ALDH1A1 158/4885

“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.