SCHEMBL20804355

SCHEMBL20804355

O=C(NCc1cccc(F)c1)c1cc(C(=O)NCc2cccc(F)c2)cc(C(=O)NCc2cccc(F)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
NAMPT P43490 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
ROCK2 O75116 5/20 0.55
MMP13 P45452 1/20 0.55
SRC P12931 1/20 0.55
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
PLA2G1B P04054 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
GAA P10253 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL5338226 0.95 HPGD (0.63) HPGDTSHRNAMPTMEN1KMT2A
SCHEMBL22305420 0.94 THRB (0.58) HPGDTSHRNAMPTMEN1KMT2A
SCHEMBL3462286 0.90 HDAC2 (0.60) HPGDTSHRNAMPTMEN1KMT2A
SCHEMBL22972224 0.86 HPGD (0.57) HPGDTSHRNAMPTMEN1KMT2A
SCHEMBL1569176 0.86 L3MBTL1 (0.68) NAMPTROCK2MAPK1CYP3A4CYP2D6
SCHEMBL10194841 0.86 MMP13 (0.61) NAMPTMEN1KMT2AALDH1A1ROCK2
SCHEMBL14797485 0.86 NAMPT (0.54) HPGDTSHRNAMPTMEN1KMT2A
SCHEMBL254175 0.85 SRC (0.69) NAMPTHDAC2HDAC8HDAC6ROCK2
SCHEMBL23978774 0.84 MEN1 (0.50) HPGDTSHRNAMPTMEN1KMT2A
SCHEMBL354056 0.84 SRC (0.60) HPGDALDH1A1SRCMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase CENTRE HOSPITALIER DE L'UNIVERSITE DE MONTREAL (CA) 2023-09-28 US disclosed
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase CENTRE HOSPITALIER DE L'UNIVERSITE DE MONTREAL (CA) 2023-09-28 US disclosed
US-20200246365-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE CENTRE HOSPITALIER DE L'UNIVERSITÉ DE MONTRÉAL (CA) 2020-08-06 US disclosed
WO-2019046931-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-03-14 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 (2 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-20200246365-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE RAN, RANBP1, GDI2 HPGD 1185/4885TSHR 4712/4885NAMPT 2270/4885
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase RAN, RANBP1, GDI2 HPGD 1185/4885TSHR 4712/4885NAMPT 2270/4885

“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.