SCHEMBL2955262

SCHEMBL2955262

O=[N+](OCc1cccc(O)c1)OCc1cccc(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.50
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ALOX15 P16050 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 2/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL31464225 0.85 ALOX15 (0.48) ENPP2DRD2DRD1TAAR1ALOX15
SCHEMBL1320631 0.85 ALOX15 (0.48) ENPP2DRD2DRD1TAAR1ALOX15
Ammonia Solution, Strong SCHEMBL11782386 0.74 TSHR (0.50) CYP1A2MAPK1LMNAKMT2AALDH1A1
SCHEMBL17028590 0.74 ENPP2 (0.58) ENPP2DRD2DRD1TAAR1ALOX15
SCHEMBL8426740 0.72 ENPP2 (0.56) ENPP2DRD2DRD1TAAR1ALOX15
SCHEMBL6341765 0.72 ENPP2 (0.61) ENPP2DRD2DRD1TAAR1ALOX15
SCHEMBL3150055 0.72 ENPP2 (0.56) ENPP2DRD2DRD1TAAR1ALOX15
SCHEMBL29713840 0.72 ENPP2 (0.56) ENPP2DRD2DRD1TAAR1ALOX15
SCHEMBL6382767 0.72 ENPP2 (0.50) ENPP2DRD2DRD1TAAR1ALOX15
SCHEMBL7359415 0.72 ENPP2 (0.50) ENPP2DRD2DRD1TAAR1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023208108-A1 COMPOUND FOR REDUCING URIC ACID 江苏新元素医药科技有限公司 2023-11-02 WO disclosed
CN-116715633-A Compounds useful for uric acid reduction 江苏新元素医药科技有限公司 2023-09-08 CN disclosed
US-7763600-B2 Hormone-based nitrogen monoxide donor compounds and use thereof in obstetrics and gynecology EFFIK (FR) 2010-07-27 US disclosed
US-20050222105-A1 Hormone-based nitrogen monoxide donor compounds and use thereof in obstetrics and gynecology EFFIK (FR) 2005-10-06 US disclosed
WO-2004041803-A1 NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-05-21 WO 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-20050222105-A1 Hormone-based nitrogen monoxide donor compounds and use thereof in obstetrics and gynecology PGF, SHBG, GNRHR ENPP2 3814/4885DRD2 537/4885DRD1 901/4885

“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.