SCHEMBL798337

SCHEMBL798337

CCOC(=O)c1cnn(-c2ccccc2)c1O

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.73
HPGD P15428 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.68
HTT P42858 3/20 0.60
RAB9A P51151 3/20 0.60
NPSR1 Q6W5P4 1/20 0.57
KDM4E B2RXH2 1/20 0.57
TSHR P16473 1/20 0.56
LMNA P02545 2/20 0.55
NR4A3 Q92570 1/20 0.54
TP53 P04637 2/20 0.53
ALOX12 P18054 1/20 0.53
PDE4D Q08499 1/20 0.53
NPC1 O15118 1/20 0.53
MAPK1 P28482 1/20 0.52

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
SCHEMBL1065124 0.87 ALDH1A1 (0.75) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL10340563 0.87 HTT (0.60) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL6052432 0.86 ALDH1A1 (0.59) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL5069717 0.84 ALDH1A1 (0.71) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL3057553 0.84 ALDH1A1 (0.71) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL1143334 0.84 ALDH1A1 (1.00) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL3264275 0.84 ALDH1A1 (0.71) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL13887595 0.84 NR4A3 (0.72) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL13766911 0.84 HTT (0.58) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL4580685 0.84 ALDH1A1 (0.65) ALDH1A1HPGDSMN1; SMN2HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024153155-A1 DOUBLE-HETEROCYCLIC WRN INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 成都微芯药业有限公司 2024-07-25 WO disclosed
WO-2023074847-A1 NOVEL SPIRO COMPOUND 田辺三菱製薬株式会社 2023-05-04 WO disclosed
US-10174032-B2 Heterocyclic compound classes for signaling modulation SIGNALRX PHARMACEUTICALS, INC. (US) 2019-01-08 US disclosed
US-20150315207-A1 Novel Heterocyclic Compound Classes for Signaling Modulation SIGNALRX PHARMACEUTICALS, INC. (US) 2015-11-05 US disclosed
US-20150315207-A1 Novel Heterocyclic Compound Classes for Signaling Modulation SIGNALRX PHARMACEUTICALS, INC. (US) 2015-11-05 US disclosed
EP-1881976-B1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS AMGEN INC (US) 2012-10-17 EP disclosed
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US disclosed
US-8088794-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2012-01-03 US disclosed
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7858623-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7858623-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-20080312232-A1 Substituted amide derivatives and methods of use AMGEN INC. (US) 2008-12-18 US disclosed
US-20080312232-A1 Substituted amide derivatives and methods of use AMGEN INC. (US) 2008-12-18 US disclosed
US-4537886-A β-lactam antibacterial agents and compositions containing them BEECHAM GROUP P.L.C. (GB) 1985-08-27 US disclosed
EP-0090656-A1 Penicillins, a process for the preparation and compositions containing them BEECHAM GROUP PLC (GB) 1983-10-05 EP 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 (5 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-20080312232-A1 Substituted amide derivatives and methods of use HGF, HGFAC, MET ALDH1A1 76/4885HPGD 85/4885SMN1; SMN2 1314/4885
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES HGF, HGFAC, MET ALDH1A1 58/4885HPGD 65/4885SMN1; SMN2 1634/4885
US-20150315207-A1 Novel Heterocyclic Compound Classes for Signaling Modulation BRD3, BRPF3, BRD4 ALDH1A1 4087/4885HPGD 1626/4885SMN1; SMN2 2435/4885
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET ALDH1A1 76/4885HPGD 85/4885SMN1; SMN2 1314/4885
US-10174032-B2 Heterocyclic compound classes for signaling modulation BRD3, BRDT, BRPF3 ALDH1A1 4183/4885HPGD 1659/4885SMN1; SMN2 2231/4885

“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.