SCHEMBL8966735

SCHEMBL8966735

Nc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
SERPINE1 P05121 1/20 0.46
HTR6 P50406 1/20 0.45
ALDH1A1 P00352 2/20 0.44
PTPRF P10586 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN11 Q06124 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
TDP1 Q9NUW8 3/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
IDO1 P14902 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL19690541 0.91 SERPINE1 (0.48) FFAR1SERPINE1HTR6ALDH1A1TDP1
SCHEMBL30741252 0.91 SERPINE1 (0.48) FFAR1SERPINE1HTR6ALDH1A1TDP1
SCHEMBL17749137 0.86 FFAR4 (0.51) FFAR1SERPINE1HTR6ALDH1A1FFAR4
SCHEMBL2236853 0.85 HTT (0.49) HTR6ALDH1A1PTPRFPTPN2PTPN1
SCHEMBL2070805 0.83 SERPINE1 (0.48) FFAR1SERPINE1HTR6ALDH1A1TDP1
SCHEMBL20129851 0.82 TSHR (0.59) ALDH1A1PTPRFPTPN2PTPN1PTPN11
SCHEMBL20129837 0.82 HTR6 (0.60) HTR6ALDH1A1PTPRFPTPN2PTPN1
SCHEMBL31577309 0.82 FFAR1 (0.51) FFAR1
SCHEMBL17761678 0.82 HTR6 (0.45) HTR6ALDH1A1PTPRFPTPN2PTPN1
SCHEMBL21501797 0.80 HTR6 (0.44) SERPINE1HTR6ALDH1A1TDP1MEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3917907-A1 MODULATORS OF POTASSIUM ION CHANNELS AND USES THEREOF Universitá Degli Studi Di Salerno (IT) 2021-12-08 EP disclosed
WO-2020157126-A1 MODULATORS OF POTASSIUM ION CHANNELS AND USES THEREOF Università degli Studi di Salerno (IT) 2020-08-06 WO disclosed
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
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
WO-2016077724-A1 (2-AMINO-4(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-05-19 WO disclosed
WO-2016077724-A1 (2-AMINO-4(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-05-19 WO disclosed
EP-0554543-B1 1,2,4-Triaminobenzene derivatives and process for their preparation ASTA MEDICA AG (DE) 1996-02-28 EP disclosed
US-5384330-A Pharmaceutically active 1,2,4-triamino-benzene derivatives, processes for their preparation and pharmaceutical compositions containing them ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1995-01-24 US disclosed
EP-0554543-A2 1,2,4-Triaminobenzene derivatives and process for their preparation ASTA Medica Aktiengesellschaft (DE) 1993-08-11 EP 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 FFAR1 265/4885SERPINE1 4367/4885HTR6 829/4885

“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.