SCHEMBL13019239

SCHEMBL13019239

Cc1nc(O)nc2c(Br)cc([N+](=O)[O-])cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 2/20 0.48
▸ ALDH1A1 P00352 5/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ HTT P42858 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GPR35 Q9HC97 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ LCK P06239 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ NFKB1 P19838 2/20 0.35
▸ NFKB2 Q00653 2/20 0.35
▸ RELA Q04206 2/20 0.35
▸ ESPL1 Q14674 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL5756956 0.85 NQO2 (0.50) NQO2ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL3737543 0.82 NQO2 (0.48) NQO2ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL5752521 0.73 NQO2 (0.48) NQO2ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL19762910 0.70 NQO2 (0.47) NQO2ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL5756383 0.70 NQO2 (0.47) NQO2ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL13040893 0.70 NQO2 (0.43) NQO2ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL15022789 0.68 NQO2 (0.48) NQO2ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL31357879 0.68 NQO2 (0.55) NQO2ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL17873521 0.68 ALDH1A1 (0.45) NQO2ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL1362507 0.67 TSHR (0.56) NQO2ALDH1A1CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100330030-A1 Vasculostatic Agents and Methods of Use Thereof TARGEGEN, INC. (US) 2010-12-30 — — US disclosed
US-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF TARGEGEN INC. 2010-11-04 — — US disclosed
US-20070208019-A1 Vasculostatic agents and methods of use thereof TARGEGEN, INC. 2007-09-06 — — US disclosed
US-7208493-B2 Vasculostatic agents and methods of use thereof TARGEGEN, INC. (US) 2007-04-24 — — 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 (3 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-20100330030-A1 Vasculostatic Agents and Methods of Use Thereof RBP1, RBP4, VCAM1 NQO2 1767/4885ALDH1A1 745/4885CYP3A4 4829/4885
US-20070208019-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 NQO2 1767/4885ALDH1A1 745/4885CYP3A4 4829/4885
US-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF RBP1, RBP4, VCAM1 NQO2 1767/4885ALDH1A1 745/4885CYP3A4 4829/4885

“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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