SCHEMBL20133978

SCHEMBL20133978

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.43
ALDH1A1 P00352 6/20 0.43
MAPT P10636 5/20 0.43
TDP1 Q9NUW8 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.41
HTT P42858 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 2/20 0.39
LMNA P02545 3/20 0.38
HRAS P01112 1/20 0.38
ATM Q13315 1/20 0.36
PKM P14618 2/20 0.36
ALDH3A1 P30838 1/20 0.36

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
SCHEMBL2236853 0.74 HTT (0.49) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL20133957 0.73 ALDH1A1 (0.49) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL537892 0.73 TDP1 (0.64) FFAR4ALDH1A1MAPTTDP1MEN1
Fluoride SCHEMBL27394412 0.71 TDP1 (0.62) FFAR4ALDH1A1MAPTTDP1MEN1
SCHEMBL720358 0.70 TDP1 (0.79) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL30515345 0.69 ALDH1A1 (0.64) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL204956 0.69 ALDH1A1 (0.64) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL112673 0.69 TSHR (0.59) FFAR4ALDH1A1MAPTTDP1MEN1
Carbamic Acid SCHEMBL28266550 0.69 LMNA (0.51) FFAR4ALDH1A1MAPTTDP1MEN1
SCHEMBL8966735 0.68 FFAR1 (0.47) FFAR4ALDH1A1MAPTTDP1MEN1

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 FFAR4 327/4885ALDH1A1 2275/4885MAPT 4337/4885

“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.