SCHEMBL7520685

SCHEMBL7520685

O=C(c1ccc[nH]1)c1cccc([N+](=O)[O-])c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 4/20 0.40
GPR35 Q9HC97 2/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CTSD P07339 1/20 0.38
RAB9A P51151 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
THRB P10828 2/20 0.37
MAPT P10636 2/20 0.37
DNA2 P51530 1/20 0.37
CASP6 P55212 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GMNN O75496 1/20 0.37

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
SCHEMBL14956593 0.79 ALDH1A1 (0.50) TSHRALDH1A1GPR35CTSDRAB9A
SCHEMBL6402 0.75 TSHR (0.64) TSHRALDH1A1GPR35CTSDCYP3A4
SCHEMBL29025719 0.75 TSHR (0.50) TSHRALDH1A1GPR35CTSDRAB9A
SCHEMBL28299590 0.74 ALDH1A1 (0.46) TSHRALDH1A1GPR35CTSDRAB9A
Nitrous Acid SCHEMBL28260974 0.74 MAPK1 (0.47) TSHRALDH1A1GPR35CTSDRAB9A
SCHEMBL6292 0.73 TSHR (0.49) TSHRALDH1A1GPR35CTSDRAB9A
SCHEMBL13606472 0.73 TSHR (0.49) TSHRALDH1A1GPR35CTSDCYP3A4
SCHEMBL38654770 0.73 TSHR (0.49) TSHRALDH1A1GPR35CTSDRAB9A
SCHEMBL7859174 0.73 TSHR (0.53) TSHRALDH1A1GPR35CTSDRAB9A
SCHEMBL5510368 0.73 CYP1A2 (0.49) ALDH1A1RAB9AMAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS 2002-10-31 US 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-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 TSHR 2787/4885ALDH1A1 1759/4885GPR35 570/4885

“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.