SCHEMBL7129461

SCHEMBL7129461

O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.70
MAPT P10636 5/20 0.67
NPC1 O15118 4/20 0.67
RAB9A P51151 4/20 0.67
CACNA1B Q00975 1/20 0.67
APBA1 Q02410 1/20 0.67
MCL1 Q07820 1/20 0.67
MMP13 P45452 1/20 0.65
SMN1; SMN2 Q16637 5/20 0.64
ALDH1A1 P00352 4/20 0.64
LMNA P02545 3/20 0.64
CXCR2 P25025 1/20 0.64
RXFP1 Q9HBX9 1/20 0.63
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.61
POLB P06746 1/20 0.60
STAT1 P42224 1/20 0.60
ACP1 P24666 1/20 0.60
ALOX12 P18054 1/20 0.59
HTT P42858 1/20 0.59

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
SCHEMBL7127487 0.94 MMP13 (0.74) DYRK1AMAPTNPC1RAB9ACACNA1B
SCHEMBL7124297 0.93 DYRK1A (0.61) DYRK1AMAPTNPC1RAB9ACACNA1B
SCHEMBL7119606 0.92 MAPT (0.61) DYRK1AMAPTNPC1RAB9ACACNA1B
SCHEMBL7162058 0.92 DYRK1A (0.64) DYRK1AMAPTNPC1RAB9ACACNA1B
SCHEMBL5731624 0.91 MAPT (0.69) DYRK1AMAPTNPC1RAB9ACACNA1B
SCHEMBL7123602 0.91 DYRK1A (0.67) DYRK1AMAPTNPC1RAB9ACACNA1B
SCHEMBL7127519 0.90 SCD (0.73) DYRK1AMAPTNPC1RAB9ACACNA1B
SCHEMBL7125923 0.90 DYRK1A (0.57) DYRK1AMAPTNPC1RAB9ACACNA1B
SCHEMBL7129459 0.86 MAPT (0.55) DYRK1AMAPTNPC1RAB9ACACNA1B
SCHEMBL7125975 0.86 MAPT (0.62) DYRK1AMAPTNPC1RAB9ACACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030134859-A1 PPAR-gamma modulator SANKYO COMPANY, LIMITED (JP) 2003-07-17 US disclosed
EP-1277729-A1 PPAR (GAMMA) MODULATORS Sankyo Company, Limited (JP) 2003-01-22 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-20030134859-A1 PPAR-gamma modulator PPARG, PPARA, PPARD DYRK1A 3783/4885MAPT 4391/4885NPC1 1152/4885

“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.