SCHEMBL13802471

SCHEMBL13802471

O=[N+]([O-])c1ccc(NCc2cccc(Br)c2)c(CO)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.55
IGF1R P08069 2/20 0.55
MAPT P10636 9/20 0.55
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
ALOX5 P09917 1/20 0.55
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.52
GAA P10253 3/20 0.51
ALDH1A1 P00352 3/20 0.50
CRHBP P24387 3/20 0.50
CRHR2 Q13324 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 2/20 0.49
IDO1 P14902 1/20 0.47

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
SCHEMBL4208063 0.82 MAPT (0.77) EGFRIGF1RMAPTMEN1KMT2A
SCHEMBL13802458 0.81 MAPT (0.48) EGFRIGF1RMAPTMEN1KMT2A
SCHEMBL894441 0.77 PARP1 (0.48) EGFRIGF1RMAPTNPC1ALDH1A1
SCHEMBL8370786 0.76 MAPT (0.64) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL13802476 0.76 PIN1 (0.49) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL30754423 0.74 EGFR (0.66) EGFRIGF1RMAPTMEN1KMT2A
SCHEMBL27376900 0.73 MAPT (0.67) EGFRMAPTMEN1KMT2ANPC1
SCHEMBL27477066 0.72 MAPT (0.65) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL3826582 0.71 MAPT (0.58) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL9222793 0.71 RIPK1 (0.48) MAPTMEN1KMT2ARAB9AALDH1A1

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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 EGFR 3200/4885IGF1R 4076/4885MAPT 6/4885

“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.