SCHEMBL20064752

SCHEMBL20064752

CCc1cc(C(=O)O)nc2cc(-c3ccc([N+](=O)[O-])cc3F)nn12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
SIRT5 Q9NXA8 1/20 0.37
MAPT P10636 3/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
MCL1 Q07820 1/20 0.35
THRB P10828 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
IGFBP3 P17936 1/20 0.34
EIF4A1 P60842 1/20 0.34
HTT P42858 2/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL20064683 0.89 RAB9A (0.40) ALDH1A1MAPTRXFP1HTTL3MBTL1
SCHEMBL20064757 0.85 MCL1 (0.46) ALDH1A1MAPTMCL1THRBRXFP1
SCHEMBL18198351 0.83 MCL1 (0.36) ALDH1A1MAPTMCL1TP53KDM4E
SCHEMBL20064782 0.83 KDM4E (0.48) ALDH1A1SIRT5MAPTHTTTP53
SCHEMBL20064800 0.82 KDM4E (0.35) ALDH1A1MAPTHTTTP53KDM4E
SCHEMBL20065127 0.82 ALDH1A1 (0.38) ALDH1A1SIRT5MAPTAKR1C3AKR1C2
SCHEMBL20064762 0.82 ADORA2A (0.42) ALDH1A1MAPTTP53KDM4E
SCHEMBL18198326 0.82 KDM4E (0.36) ALDH1A1MAPTKDM4E
SCHEMBL23953691 0.81 AR (0.33) ALDH1A1MAPTTHRBHTT
SCHEMBL20064857 0.81 HPGD (0.44) ALDH1A1MAPTHTTTP53L3MBTL1

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-20200223855-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2020-07-16 US disclosed
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2018-04-19 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 (2 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-20200223855-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP ALDH1A1 3193/4885SIRT5 73/4885MAPT 3325/4885
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP ALDH1A1 3193/4885SIRT5 73/4885MAPT 3325/4885

“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.