SCHEMBL12949260

SCHEMBL12949260

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.54
▸ USP2 O75604 2/20 0.53
▸ ATM Q13315 2/20 0.53
▸ CFTR P13569 1/20 0.53
▸ PAX8 Q06710 1/20 0.53
▸ GOPC Q9HD26 1/20 0.53
▸ SCN1A P35498 2/20 0.41
▸ SCN2A Q99250 2/20 0.41
▸ SCN3A Q9NY46 2/20 0.41
▸ FPR2 P25090 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ TGM2 P21980 1/20 0.38
▸ MAOB P27338 1/20 0.37
▸ MAPT P10636 3/20 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
SCHEMBL14219787 0.92 ABCB1 (0.55) ABCB1USP2ATMCFTRPAX8
SCHEMBL13820288 0.90 ABCB1 (0.59) ABCB1USP2ATMCFTRPAX8
SCHEMBL18888026 0.88 USP2 (0.53) ABCB1USP2ATMCFTRPAX8
SCHEMBL10040697 0.87 ABCB1 (0.71) ABCB1USP2ATMCFTRPAX8
SCHEMBL18888058 0.85 ABCB1 (0.40) ABCB1USP2ATMCFTRPAX8
SCHEMBL13179036 0.84 ABCB1 (0.56) ABCB1USP2ATMCFTRPAX8
SCHEMBL2732905 0.83 ABCB1 (0.43) ABCB1USP2ATMCFTRPAX8
SCHEMBL22292200 0.83 USP2 (0.55) ABCB1USP2ATMCFTRPAX8
Hydrochloric Acid SCHEMBL29539118 0.82 USP2 (0.54) ABCB1USP2ATMCFTRPAX8
SCHEMBL18350813 0.81 USP2 (0.53) ABCB1USP2ATMCFTRPAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021616-A1 HALOGENATED RHODAMINE DERIVATIVES AND APPLICATIONS THEREOF KIADIS PHARMA CANADA INC. (CA) 2011-01-27 — — 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 (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-20110021616-A1 HALOGENATED RHODAMINE DERIVATIVES AND APPLICATIONS THEREOF RAB7A, BCDIN3D, TFEB ABCB1 1138/4885USP2 4534/4885ATM 3083/4885

“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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