SCHEMBL17806325

SCHEMBL17806325

COC(=O)c1ccc2c(c1)N(C(C)C)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
ALOX15 P16050 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49
XIAP P98170 1/20 0.47
BIRC2 Q13490 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
ACACB O00763 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SRD5A1 P18405 1/20 0.43
SRD5A2 P31213 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL21792306 0.89 SRD5A1 (0.52) KDM4EALDH1A1ALOX15CASP1CASP7
SCHEMBL6177137 0.85 TP53 (0.53) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL17806245 0.84 RARA (0.47) KDM4EALDH1A1HSD17B10POLBNPSR1
SCHEMBL23754434 0.81 KMT2A (0.46) KDM4EALDH1A1ALOX15CASP1CASP7
SCHEMBL2502232 0.81 KDM4E (0.59) KDM4EALDH1A1ALOX15CASP1CASP7
SCHEMBL17321541 0.80 ROCK1 (0.41) ALDH1A1SMN1; SMN2POLBHPGDPDK1
SCHEMBL4602429 0.79 ALDH1A1 (0.51) KDM4EALDH1A1ALOX15CASP1CASP7
SCHEMBL20178646 0.79 XIAP (0.49) KDM4EALDH1A1ALOX15CASP1CASP7
SCHEMBL28834900 0.78 NOTUM (0.60) KDM4EALDH1A1ALOX15CASP1CASP7
SCHEMBL17321537 0.78 KMT2A (0.52) ALDH1A1ALOX15MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 US disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 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 (4 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 KDM4E 465/4885ALDH1A1 1727/4885ALOX15 3390/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 KDM4E 465/4885ALDH1A1 1727/4885ALOX15 3390/4885
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 KDM4E 4005/4885ALDH1A1 2185/4885ALOX15 1041/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 KDM4E 4005/4885ALDH1A1 2185/4885ALOX15 1041/4885

“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.