SCHEMBL20133957

SCHEMBL20133957

BC(B)(Nc1ccc(NC(=O)OCC)c([N+](=O)[O-])c1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KCNQ3 O43525 3/20 0.45
KCNQ2 O43526 3/20 0.45
KCNQ4 P56696 1/20 0.45
KCNQ5 Q9NR82 1/20 0.45
KMT2A Q03164 4/20 0.44
MAPT P10636 8/20 0.43
MEN1 O00255 2/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
MAPK1 P28482 3/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP2C19 P33261 2/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL20133974 0.83 KCNQ2 (0.65) ALDH1A1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL2235641 0.81 KCNQ2 (0.70) ALDH1A1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL6005439 0.78 KCNQ2 (0.64) ALDH1A1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL8966006 0.76 KCNQ2 (0.58) ALDH1A1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL15538708 0.76 MAPT (0.52) ALDH1A1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL6004947 0.75 CYP1A2 (0.65) ALDH1A1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL6004798 0.74 KCNQ2 (0.56) ALDH1A1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL14230958 0.74 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL20133978 0.73 FFAR4 (0.43) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL6448712 0.73 KCNQ2 (0.50) ALDH1A1KCNQ3KCNQ2KCNQ4KCNQ5

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 ALDH1A1 2275/4885KCNQ3 1235/4885KCNQ2 1257/4885

“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.