SCHEMBL7125499

SCHEMBL7125499

O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(I)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.63
KMT2A Q03164 7/20 0.63
MAPT P10636 6/20 0.63
RAB9A P51151 3/20 0.63
MAPK1 P28482 2/20 0.63
MCL1 Q07820 1/20 0.63
LMNA P02545 8/20 0.58
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPC1 O15118 1/20 0.53
ATM Q13315 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 3/20 0.52
POLB P06746 1/20 0.52
CA1 P00915 1/20 0.51
MMP2 P08253 1/20 0.51
CA14 Q9ULX7 1/20 0.51
RECQL P46063 1/20 0.51
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51

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
SCHEMBL12181974 0.88 MAPT (0.65) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL1454500 0.86 MEN1 (0.63) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL6813549 0.86 MEN1 (0.70) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL1454593 0.86 MEN1 (0.72) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL16099264 0.84 LMNA (0.66) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL7302395 0.84 RAB9A (0.75) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL4200628 0.84 LMNA (0.62) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL1456138 0.83 RAB9A (0.60) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL26451945 0.83 KMT2A (0.61) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL1455710 0.83 MAPT (0.62) MEN1KMT2AMAPTRAB9AMAPK1

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-20030186944-A1 Such as 4-(2-(3-dimethylaminobenzoylamino)phenoxy)phthalic acid for treatment/prevention of diabetes; for inhibiting liver glycogen phosphorylase; dietetics KRISTIANSEN MARIT (DK) 2003-10-02 US disclosed
US-6590118-B1 Used in treatment of and/or prevention of diabetes, especially non-insulin dependent diabetes (Type 2 diabetes) NOVO NORDISK A/S (DK) 2003-07-08 US disclosed
EP-1220832-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2002-07-10 EP disclosed
WO-2001023347-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2001-04-05 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-20030186944-A1 Such as 4-(2-(3-dimethylaminobenzoylamino)phenoxy)phthalic acid for treatment/prevention of diabetes; for inhibiting liver glycogen phosphorylase; dietetics PYGL, GYS2, PYGM MEN1 2301/4885KMT2A 971/4885MAPT 2042/4885

“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.