SCHEMBL980505

SCHEMBL980505

[CH2]c1cc([N+](=O)[O-])cc(Br)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
CYP3A4 P08684 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.47
GPR35 Q9HC97 4/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TTR P02766 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL994720 0.86 MEN1 (0.56) ALDH1A1CYP3A4MEN1KMT2AHTT
SCHEMBL17132338 0.80 ALDH1A1 (0.62) ALDH1A1CYP3A4MEN1KMT2AHTT
SCHEMBL8329477 0.78 GPR35 (0.66) ALDH1A1CYP3A4MEN1KMT2AHTT
SCHEMBL5654609 0.78 GPR35 (0.66) ALDH1A1CYP3A4MEN1KMT2AHTT
SCHEMBL13735277 0.77 ALDH1A1 (0.65) ALDH1A1CYP3A4MEN1KMT2AHTT
SCHEMBL14744103 0.77 GPR35 (0.65) ALDH1A1CYP3A4MEN1KMT2AHTT
SCHEMBL11942497 0.77 ALDH1A1 (0.47) ALDH1A1CYP3A4MEN1KMT2AHTT
SCHEMBL8327908 0.77 GPR35 (0.65) ALDH1A1CYP3A4MEN1KMT2AHTT
SCHEMBL482509 0.77 MEN1 (0.74) ALDH1A1CYP3A4MEN1KMT2AHTT
SCHEMBL4660845 0.77 ALDH1A1 (0.48) ALDH1A1CYP3A4MEN1KMT2AHTT

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-20110009649-A1 METHOD FOR PREPARING 2-(n-BUTYL)-5-NITROBENZOFURAN FINORGA 2011-01-13 US disclosed
US-4187233-A Pressure-sensitive or heat-sensitive recording material and novel 2,2-diarylchromeno compounds used therein CIBA-GEIGY CORPORATION (US) 1980-02-05 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-20110009649-A1 METHOD FOR PREPARING 2-(n-BUTYL)-5-NITROBENZOFURAN CYP8B1, NISCH, CBR3 ALDH1A1 903/4885CYP3A4 98/4885MEN1 4245/4885

“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.