SCHEMBL21878574

SCHEMBL21878574

CN(C)c1ccc2c(-c3ccc([N+](=O)[O-])cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 1/20 0.65
▸ MEN1 O00255 2/20 0.57
▸ BLM P54132 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ THRB P10828 1/20 0.57
▸ RECQL P46063 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ ITPR1 Q14643 1/20 0.51
▸ HTR3A P46098 1/20 0.47
▸ CA12 O43570 3/20 0.46
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ P2RY2 P41231 1/20 0.46
▸ SLC5A2 P31639 3/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.43
▸ ADORA2A P29274 1/20 0.40
▸ USP2 O75604 2/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL12418857 0.93 MEN1 (0.59) P2RY6MEN1BLMKMT2ATHRB
SCHEMBL21878583 0.87 P2RY6 (0.67) P2RY6MEN1BLMKMT2ATHRB
Tetramethylrhodamine SCHEMBL29838750 0.86 P2RY6 (0.67) P2RY6MEN1BLMKMT2ATHRB
Tetramethylrhodamine SCHEMBL13815486 0.86 P2RY6 (0.67) P2RY6MEN1BLMKMT2ATHRB
Tetramethylrhodamine SCHEMBL30091907 0.85 P2RY6 (0.66) P2RY6MEN1BLMKMT2ATHRB
Tetramethylrhodamine SCHEMBL29587824 0.85 P2RY6 (0.66) P2RY6MEN1BLMKMT2ATHRB
SCHEMBL20200017 0.85 P2RY6 (0.66) P2RY6MEN1BLMKMT2ATHRB
SCHEMBL38664707 0.85 P2RY6 (0.65) P2RY6MEN1BLMKMT2ATHRB
SCHEMBL17124185 0.84 MEN1 (0.72) P2RY6MEN1BLMKMT2ATHRB
SCHEMBL19787877 0.83 P2RY6 (0.71) P2RY6MEN1BLMKMT2ATHRB

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-11649228-B2 Zinc indicators for cellular imaging THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-05-16 — — US disclosed
US-20200131160-A1 ZINC INDICATORS FOR CELLULAR IMAGING NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-04-30 — — 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-20200131160-A1 ZINC INDICATORS FOR CELLULAR IMAGING IAPP, SLC30A6, SLC30A7 P2RY6 2536/4885MEN1 2196/4885BLM 1945/4885
US-11649228-B2 Zinc indicators for cellular imaging IAPP, SLC30A6, SLC30A7 P2RY6 2536/4885MEN1 2196/4885BLM 1945/4885

“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.

Send feedback