SCHEMBL12010997

SCHEMBL12010997

Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)ccc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.74
▸ HTT P42858 4/20 0.74
▸ MEN1 O00255 3/20 0.74
▸ SMN1; SMN2 Q16637 3/20 0.74
▸ MAPT P10636 3/20 0.74
▸ ALDH1A1 P00352 2/20 0.74
▸ NPC1 O15118 2/20 0.74
▸ LMNA P02545 2/20 0.74
▸ RAB9A P51151 2/20 0.74
▸ AURKA O14965 1/20 0.74
▸ PDPK1 O15530 1/20 0.74
▸ JAK2 O60674 1/20 0.74
▸ GMNN O75496 1/20 0.74
▸ EGFR P00533 1/20 0.74
▸ TP53 P04637 1/20 0.74
▸ CYP1A2 P05177 1/20 0.74
▸ LYN P07948 1/20 0.74
▸ CHRM2 P08172 1/20 0.74
▸ CYP3A4 P08684 1/20 0.74
▸ ADRA2A P08913 1/20 0.74

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
SCHEMBL18341379 0.90 KMT2A (0.78) KMT2AHTTMEN1SMN1; SMN2MAPT
SCHEMBL4824243 0.88 KMT2A (0.60) KMT2AHTTMEN1SMN1; SMN2MAPT
SCHEMBL8042390 0.88 KMT2A (0.81) KMT2AHTTMEN1SMN1; SMN2MAPT
SCHEMBL26095536 0.88 KMT2A (0.77) KMT2AHTTMEN1SMN1; SMN2MAPT
SCHEMBL11764597 0.88 SMN1; SMN2 (0.68) KMT2AHTTMEN1SMN1; SMN2MAPT
SCHEMBL28457684 0.86 KMT2A (0.83) KMT2AHTTMEN1SMN1; SMN2MAPT
Niclosamide SCHEMBL16686086 0.85 KMT2A (0.95) KMT2AHTTMEN1SMN1; SMN2MAPT
Niclosamide SCHEMBL6662409 0.85 KMT2A (1.00) KMT2AHTTMEN1SMN1; SMN2MAPT
Niclosamide SCHEMBL29363878 0.85 KMT2A (1.00) KMT2AHTTMEN1SMN1; SMN2MAPT
Niclosamide SCHEMBL67182 0.85 KMT2A (1.00) KMT2AHTTMEN1SMN1; SMN2MAPT

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-8252841-B2 Methods of inhibiting bacterial virulence and compounds relating thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-08-28 — — US disclosed
US-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2010-02-25 — — 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-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto MMP8, SLC11A2, NFKBIA KMT2A 4400/4885HTT 4484/4885MEN1 3468/4885

“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.

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