SCHEMBL13802487

SCHEMBL13802487

NC(=O)c1cc([N+](=O)[O-])ccc1NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.67
RAB9A P51151 2/20 0.65
NPC1 O15118 1/20 0.63
ATM Q13315 1/20 0.63
MAPT P10636 4/20 0.60
ALDH1A1 P00352 4/20 0.60
GAA P10253 2/20 0.60
KDM4E B2RXH2 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
PKM P14618 1/20 0.58
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
AURKA O14965 2/20 0.52
RPS6KB1 P23443 2/20 0.52
PIN1 Q13526 2/20 0.51
P2RX1 P51575 1/20 0.50
TMPRSS4 Q9NRS4 1/20 0.50
IDO1 P14902 1/20 0.47
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46

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
SCHEMBL4209269 0.91 MAPT (0.70) MITFRAB9ANPC1ATMMAPT
SCHEMBL4214830 0.87 MAPT (0.53) MITFRAB9ANPC1ATMMAPT
SCHEMBL13802481 0.87 MAPT (0.53) MITFRAB9ANPC1ATMMAPT
SCHEMBL13802482 0.86 MAPT (0.52) MITFRAB9ANPC1ATMMAPT
SCHEMBL13802476 0.82 PIN1 (0.49) MITFRAB9ANPC1ATMMAPT
SCHEMBL4211539 0.81 MAPT (0.72) MITFRAB9ANPC1ATMMAPT
SCHEMBL5262599 0.77 RAB9A (0.70) MITFRAB9ANPC1ATMMAPT
SCHEMBL4207992 0.74 MAPT (0.74) MITFRAB9ANPC1ATMMAPT
SCHEMBL13802478 0.73 KDM4E (0.50) MITFMAPTALDH1A1GAAKDM4E
SCHEMBL8477219 0.72 PKM (0.61) MITFRAB9ANPC1ATMMAPT

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 MITF 3544/4885RAB9A 3268/4885NPC1 43/4885

“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.