SCHEMBL21878599

SCHEMBL21878599

CCN(CC)c1ccc2c(-c3ccc([N+](=O)[O-])cc3C(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.59
▸ BLM P54132 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ USP2 O75604 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ PPARG P37231 1/20 0.59
▸ RXFP1 Q9HBX9 1/20 0.59
▸ NCOR2 Q9Y618 1/20 0.59
▸ P2RY6 Q15077 1/20 0.49
▸ TGM2 P21980 1/20 0.47
▸ FPR2 P25090 4/20 0.45
▸ CHRM1 P11229 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.41
▸ AVPR2 P30518 1/20 0.39
▸ ITPR1 Q14643 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ APLNR P35414 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ RECQL P46063 1/20 0.38

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
SCHEMBL21878601 0.88 USP2 (0.61) MEN1BLMKMT2AUSP2POLB
SCHEMBL20078093 0.88 MEN1 (0.63) MEN1BLMKMT2AUSP2POLB
Hydrochloric Acid SCHEMBL29352053 0.87 MEN1 (0.62) MEN1BLMKMT2AUSP2POLB
SCHEMBL18680528 0.86 MEN1 (0.62) MEN1BLMKMT2AUSP2POLB
Acetic Acid SCHEMBL29510237 0.83 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
SCHEMBL21878574 0.83 P2RY6 (0.65) MEN1BLMKMT2AUSP2POLB
SCHEMBL3903552 0.81 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB
Rhodamine B SCHEMBL10000882 0.81 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB
SCHEMBL29593395 0.81 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB
SCHEMBL12724913 0.80 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB

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 MEN1 2196/4885BLM 1945/4885KMT2A 4760/4885
US-11649228-B2 Zinc indicators for cellular imaging IAPP, SLC30A6, SLC30A7 MEN1 2196/4885BLM 1945/4885KMT2A 4760/4885

“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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