SCHEMBL14862017

SCHEMBL14862017

N=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.53
IGF1R P08069 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 2/20 0.46
THRB P10828 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
MITF O75030 1/20 0.46
POLB P06746 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PPIA P62937 1/20 0.43
MYC P01106 1/20 0.43
MAX P61244 1/20 0.43

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
SCHEMBL14862341 0.86 RORC (0.54) RORCALDH1A1MEN1KMT2AKDM4E
SCHEMBL15938160 0.82 ALDH1A1 (0.60) RORCALDH1A1MEN1KMT2ANPC1
SCHEMBL6938062 0.82 ABCG2 (0.59) RORCABCG2IGF1RALDH1A1MEN1
SCHEMBL8103149 0.82 MEN1 (0.67) RORCABCG2IGF1RALDH1A1MEN1
SCHEMBL14861647 0.81 KMT2A (0.53) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL16470335 0.80 KMT2A (0.68) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL7373448 0.78 RORC (0.66) RORCABCG2ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL15527542 0.78 KMT2A (0.66) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL14862217 0.76 KDM4E (0.48) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL15937964 0.76 TRPV4 (0.51) ALDH1A1MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745257-B2 Phenyl-guanidine derivatives UNIVERSIDAD NACIONAL DE QUILMES (AR) 2017-08-29 US claimed
EP-2766342-B1 PHENYL-GUANIDINE DERIVATIVES UNIV NAC QUILMES (AR) 2016-02-10 EP claimed
US-20140228388-A1 Phenyl-Guanidine Derivatives UNIVERSIDAD NACIONAL DE QUILMES (AR) 2014-08-14 US claimed
CN-103917520-A Phenyl-guanidine derivatives UNIV NAC QUILMES 2014-07-09 CN claimed
US-9745257-B2 Phenyl-guanidine derivatives UNIVERSIDAD NACIONAL DE QUILMES (AR) 2017-08-29 US disclosed
EP-2766342-B1 PHENYL-GUANIDINE DERIVATIVES UNIV NAC QUILMES (AR) 2016-02-10 EP disclosed
EP-2766342-A1 PHENYL-GUANIDINE DERIVATIVES Universidad Nacional de Quilmes (AR) 2014-08-20 EP disclosed
US-20140228388-A1 Phenyl-Guanidine Derivatives UNIVERSIDAD NACIONAL DE QUILMES (AR) 2014-08-14 US disclosed
CN-103917520-A Phenyl-guanidine derivatives UNIV NAC QUILMES 2014-07-09 CN disclosed
WO-2013053726-A1 PHENYL-GUANIDINE DERIVATIVES UNIVERSIDAD NACIONAL DE QUILMES (AR) 2013-04-18 WO 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-20140228388-A1 Phenyl-Guanidine Derivatives RAPGEF3, ARHGDIA, G3BP1 RORC 3650/4885ABCG2 2598/4885IGF1R 3448/4885

“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.