SCHEMBL23969944

SCHEMBL23969944

CCN(CC)c1ccc2c(-c3ccccc3C(=O)N(C)CCNC)c3ccc(=N)cc-3oc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.51
▸ USP2 O75604 2/20 0.49
▸ CFTR P13569 1/20 0.49
▸ PAX8 Q06710 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ GOPC Q9HD26 1/20 0.49
▸ FPR2 P25090 4/20 0.40
▸ TGM2 P21980 1/20 0.40
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ BLM P54132 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ PPARG P37231 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ MAOB P27338 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ P2RY6 Q15077 1/20 0.36

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
SCHEMBL14263967 0.91 ABCB1 (0.51) ABCB1USP2CFTRPAX8ATM
SCHEMBL14263966 0.88 ABCB1 (0.49) ABCB1USP2CFTRPAX8ATM
SCHEMBL25118438 0.87 ABCB1 (0.48) ABCB1USP2CFTRPAX8ATM
SCHEMBL13179036 0.85 ABCB1 (0.56) ABCB1USP2CFTRPAX8ATM
SCHEMBL10040697 0.84 ABCB1 (0.71) ABCB1USP2CFTRPAX8ATM
SCHEMBL14534275 0.82 ABCB1 (0.54) ABCB1USP2CFTRPAX8ATM
SCHEMBL13820288 0.81 ABCB1 (0.59) ABCB1USP2CFTRPAX8ATM
SCHEMBL14219787 0.78 ABCB1 (0.55) ABCB1USP2CFTRPAX8ATM
SCHEMBL14078001 0.78 MEN1 (0.56) USP2FPR2TGM2MEN1KMT2A
SCHEMBL12836995 0.78 ALDH1A1 (0.45) ABCB1USP2CFTRPAX8ATM

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-20230107647-A1 SINGLE MOLECULE PEPTIDE SEQUENCING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-04-06 — — US disclosed
US-11162952-B2 Single molecule peptide sequencing BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-11-02 — — 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-20230107647-A1 SINGLE MOLECULE PEPTIDE SEQUENCING QPCTL, ANPEP, VIP ABCB1 4802/4885USP2 1336/4885CFTR 4040/4885
US-11162952-B2 Single molecule peptide sequencing MICA, ANPEP, VIP ABCB1 4357/4885USP2 1130/4885CFTR 2533/4885

“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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