SCHEMBL14933933

SCHEMBL14933933

O=C1c2ccccc2C(=O)N1C[C@H]1NCCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.52
SLC22A1 O15245 1/20 0.52
ALDH1A1 P00352 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
OPRM1 P35372 7/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
KEAP1 Q14145 3/20 0.46
NFE2L2 Q16236 1/20 0.46
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL9913091 1.00 PRCP (0.52) PRCPSLC22A1ALDH1A1NPSR1MAPT
SCHEMBL30952112 1.00 PRCP (0.52) PRCPSLC22A1ALDH1A1NPSR1MAPT
SCHEMBL3847930 0.89 PRCP (0.45) PRCPSLC22A1ALDH1A1NPSR1MAPT
SCHEMBL14934054 0.86 PRCP (0.50) PRCPSLC22A1ALDH1A1OPRM1SMN1; SMN2
SCHEMBL14934071 0.86 PRCP (0.50) PRCPSLC22A1ALDH1A1OPRM1SMN1; SMN2
SCHEMBL19025988 0.84 RAB9A (0.39) PRCPSLC22A1ALDH1A1NPSR1MAPT
SCHEMBL19026595 0.84 RAB9A (0.39) PRCPSLC22A1ALDH1A1NPSR1MAPT
SCHEMBL19025986 0.84 RAB9A (0.39) PRCPSLC22A1ALDH1A1NPSR1MAPT
SCHEMBL16017694 0.82 PRCP (0.49) PRCPSLC22A1ALDH1A1MAPTOPRM1
SCHEMBL25321589 0.81 OPRM1 (0.47) KMT2AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2018-05-31 US disclosed
US-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2018-05-31 US disclosed
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS THE BROAD INSTITUTE, INC. (US) 2014-09-11 US disclosed
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS THE BROAD INSTITUTE, INC. (US) 2014-09-11 US disclosed
WO-2013067036-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-05-10 WO 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-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS KEAP1, NFE2L2, HMOX1 PRCP 2778/4885SLC22A1 2616/4885ALDH1A1 1021/4885
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS KEAP1, NFE2L2, HMOX1 PRCP 2778/4885SLC22A1 2616/4885ALDH1A1 1021/4885

“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.