SCHEMBL20129840

SCHEMBL20129840

Nc1ccc(N(Cc2ccccc2)C(=O)OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 6/20 0.45
LMNA P02545 5/20 0.45
KDM4E B2RXH2 3/20 0.43
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 2/20 0.39
PDE1C Q14123 1/20 0.39
AR P10275 1/20 0.39
MEN1 O00255 1/20 0.39
MITF O75030 1/20 0.39
MAPK1 P28482 1/20 0.39
CCR6 P51684 1/20 0.39
KMT2A Q03164 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
SCHEMBL20129859 0.94 CYP1A2 (0.45) MAPTALDH1A1LMNAKDM4EHTT
SCHEMBL20129846 0.94 MAPT (0.43) MAPTALDH1A1LMNAKDM4EHTT
SCHEMBL20129852 0.89 MAPT (0.41) MAPTALDH1A1LMNAKDM4EHTT
SCHEMBL20129855 0.88 CYP19A1 (0.47) MAPTALDH1A1LMNAKDM4EHTT
SCHEMBL20129843 0.79 PKM (0.46) MAPTALDH1A1LMNAKDM4EPKM
SCHEMBL20654852 0.78 CHRM2 (0.43) MAPTALDH1A1LMNAKDM4EHTT
SCHEMBL20129854 0.77 NPC1 (0.46) MAPTALDH1A1LMNAPKMRAB9A
SCHEMBL27612878 0.76 MAPT (0.77) MAPTALDH1A1LMNAKDM4ERAB9A
SCHEMBL12517859 0.76 ALDH1A1 (0.55) MAPTALDH1A1LMNAKDM4EHTT
SCHEMBL20129857 0.75 MAPT (0.49) MAPTALDH1A1LMNAKDM4EHTT

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 2275/4885LMNA 4523/4885

“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.