SCHEMBL20129852

SCHEMBL20129852

Nc1ccc(N(Cc2cccc(S(F)(F)(F)(F)F)c2)C(=O)OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 3/20 0.38
HTT P42858 3/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 4/20 0.37
RAB9A P51151 5/20 0.37
NPC1 O15118 2/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE1C Q14123 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
CYP19A1 P11511 1/20 0.34
MITF O75030 1/20 0.34
MAPK1 P28482 1/20 0.34
CCR6 P51684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL20129840 0.89 MAPT (0.47) MAPTALDH1A1KDM4EHTTPKM
SCHEMBL20129855 0.86 CYP19A1 (0.47) MAPTALDH1A1KDM4EHTTLMNA
SCHEMBL20129846 0.85 MAPT (0.43) MAPTALDH1A1KDM4EHTTPKM
SCHEMBL20129859 0.83 CYP1A2 (0.45) MAPTALDH1A1KDM4EHTTPKM
SCHEMBL20129856 0.83 PKM (0.41) MAPTALDH1A1PKMLMNARAB9A
SCHEMBL20654852 0.71 CHRM2 (0.43) MAPTALDH1A1KDM4EHTTLMNA
SCHEMBL20129843 0.70 PKM (0.46) MAPTALDH1A1KDM4EPKMLMNA
SCHEMBL25920399 0.70 CHRM2 (0.43) MAPTALDH1A1HTTRAB9ANPC1
SCHEMBL20129848 0.70 THRB (0.42) MAPTALDH1A1PKMRAB9ANPC1
SCHEMBL27612878 0.69 MAPT (0.77) MAPTALDH1A1KDM4ELMNARAB9A

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-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-10 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-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES HRH4, H1-10, HDAC10 MAPT 4337/4885ALDH1A1 2275/4885KDM4E 1066/4885

“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.