SCHEMBL9979456

SCHEMBL9979456

CC(=O)c1ccccc1-c1c2ccc(=N)cc-2oc2cc(N)ccc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.79
USP2 O75604 6/20 0.76
ATM Q13315 2/20 0.76
CFTR P13569 1/20 0.76
PAX8 Q06710 1/20 0.76
GOPC Q9HD26 1/20 0.76
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 7/20 0.37
KMT2A Q03164 7/20 0.37
POLB P06746 4/20 0.37
PLEC Q15149 1/20 0.37
FTO Q9C0B1 2/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
KDM4E B2RXH2 5/20 0.35
HPGD P15428 4/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX5AP P20292 1/20 0.34

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
SCHEMBL458205 0.90 ABCB1 (0.77) ABCB1USP2ATMCFTRPAX8
Hydrochloric Acid SCHEMBL5606345 0.89 USP2 (0.76) ABCB1USP2ATMCFTRPAX8
Hydrochloric Acid SCHEMBL29376502 0.89 USP2 (0.76) ABCB1USP2ATMCFTRPAX8
SCHEMBL23309754 0.89 ABCB1 (0.76) ABCB1USP2ATMCFTRPAX8
SCHEMBL14693687 0.89 ABCB1 (0.76) ABCB1USP2ATMCFTRPAX8
SCHEMBL14399387 0.88 ABCB1 (0.78) ABCB1USP2ATMCFTRPAX8
SCHEMBL268381 0.88 ABCB1 (1.00) ABCB1USP2ATMCFTRPAX8
SCHEMBL9976340 0.88 ABCB1 (0.74) ABCB1USP2ATMCFTRPAX8
Hydrochloric Acid SCHEMBL18816029 0.87 USP2 (0.98) ABCB1USP2ATMCFTRPAX8
Hydrochloric Acid SCHEMBL29363314 0.87 USP2 (0.98) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140357569-A1 CYCLOSPORIN CONJUGATES UCL BUSINESS PLC (GB) 2014-12-04 US disclosed
US-20120157385-A1 CYCLOSPORIN CONJUGATES UCL BUSINESS PLC (GB) 2012-06-21 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-20120157385-A1 CYCLOSPORIN CONJUGATES CYP11B1, SHMT2, MRM1 ABCB1 70/4885USP2 4778/4885ATM 4619/4885
US-20140357569-A1 CYCLOSPORIN CONJUGATES CYP11B1, SHMT2, MRM1 ABCB1 68/4885USP2 4774/4885ATM 4515/4885

“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.