SCHEMBL19246201

SCHEMBL19246201

O=C(NCc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.64
HTT P42858 3/20 0.64
CTSD P07339 1/20 0.64
ALDH1A1 P00352 2/20 0.63
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP3A4 P08684 3/20 0.56
CYP2C19 P33261 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CYP2D6 P10635 2/20 0.56
PTPN1 P18031 1/20 0.54
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 1/20 0.52
LMNA P02545 2/20 0.52
MAPK1 P28482 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
SCHEMBL9646348 0.90 CTSD (0.63) HPGDHTTCTSDALDH1A1SMN1; SMN2
SCHEMBL9645150 0.86 CHRNB2 (0.61) HPGDHTTCTSDALDH1A1SMN1; SMN2
SCHEMBL6361089 0.85 SMN1; SMN2 (0.61) HPGDHTTALDH1A1SMN1; SMN2MEN1
SCHEMBL30236290 0.84 KMT2A (0.75) HPGDHTTCTSDALDH1A1MEN1
SCHEMBL9366252 0.84 ALDH1A1 (0.58) HPGDHTTALDH1A1SMN1; SMN2MEN1
SCHEMBL19246188 0.84 KMT2A (0.75) HPGDHTTCTSDALDH1A1MEN1
SCHEMBL1252918 0.82 KMT2A (0.64) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL10602289 0.82 CTSD (0.70) HPGDHTTCTSDALDH1A1SMN1; SMN2
SCHEMBL3182254 0.81 SMN1; SMN2 (0.56) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL9647861 0.81 HPGD (0.65) HPGDHTTCTSDALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10322112-B2 Compound combinations for attenuation of bacterial virulence WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-18 US disclosed
US-20170231962-A1 Compound Combinations for Attenuation of Bacterial Virulence NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-17 US disclosed
US-20170231962-A1 Compound Combinations for Attenuation of Bacterial Virulence NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-17 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-20170231962-A1 Compound Combinations for Attenuation of Bacterial Virulence PNISR, PGLS, QRFPR HPGD 1821/4885HTT 1790/4885CTSD 3962/4885
US-10322112-B2 Compound combinations for attenuation of bacterial virulence PNISR, BLVRB, PGLS HPGD 1453/4885HTT 2725/4885CTSD 3708/4885

“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.