SCHEMBL17898573

SCHEMBL17898573

O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc2oc(=O)ccc2c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
POLB P06746 3/20 0.61
MAPT P10636 3/20 0.61
CA9 Q16790 2/20 0.61
CA12 O43570 2/20 0.61
RXFP1 Q9HBX9 1/20 0.60
CETP P11597 1/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL8977175 0.79 ALDH1A1 (0.73) ALDH1A1POLBMAPTCETPMEN1
SCHEMBL8977180 0.77 ALDH1A1 (0.78) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL7097840 0.76 ALDH1A1 (0.65) ALDH1A1POLBMAPTCETPMEN1
SCHEMBL17898582 0.76 KMT2A (0.57) ALDH1A1POLBMAPTRXFP1CETP
SCHEMBL18328491 0.74 ALDH1A1 (0.67) ALDH1A1POLBMAPTCETPMEN1
SCHEMBL9911322 0.72 KMT2A (0.63) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL17148033 0.70 CA12 (0.72) ALDH1A1POLBMAPTCA9CA12
SCHEMBL1166469 0.70 MAOA (0.55) ALDH1A1POLBMAPTCA9CA12
SCHEMBL3836094 0.70 MAPT (0.76) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL14547780 0.69 ALDH1A1 (0.60) ALDH1A1POLBMAPTMEN1KMT2A

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-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2016-07-07 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-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF HNF4A, TCF4, WNT3A ALDH1A1 1391/4885POLB 3975/4885MAPT 4620/4885

“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.