SCHEMBL2158738

SCHEMBL2158738

c1ccc(COCn2ncnn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.40
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP19A1 P11511 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
IDO1 P14902 1/20 0.35
HSP90AB1 P08238 1/20 0.35
AGXT P21549 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 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
SCHEMBL8784962 0.76 CYP19A1 (0.57) POLBNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9541566 0.76 TSHR (0.42) TSHRNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL18839787 0.73 POLB (0.67) TSHRPOLBNPC1RAB9AL3MBTL1
SCHEMBL8714033 0.73 HRH3 (0.50) NPC1RAB9ACYP19A1
SCHEMBL3884625 0.71 BCHE (0.49) TSHRRAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL12359857 0.70 TSHR (0.44) TSHRNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL365088 0.70 TSHR (0.44) TSHRNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL3484265 0.69 HMOX1 (0.48) TSHRTP53ALDH1A1CA1CA2
SCHEMBL3035852 0.69 CYP19A1 (0.61) TSHRNPC1RAB9ASMN1; SMN2CYP19A1
SCHEMBL3859058 0.69 HDAC1 (0.45) TSHRPOLBNPC1RAB9ASMN1; SMN2

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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3096754-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2018-08-29 EP disclosed
WO-2017137770-A1 TETRAZOLE DERIVATIVES AS CYTOCHROME P450 INHIBITORS C26 BIOSCIENCE AB (SE) 2017-08-17 WO disclosed
US-9708336-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
EP-3096754-A1 METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-11-30 EP disclosed
US-20160333021-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-17 US disclosed
EP-2471773-B1 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2016-03-23 EP disclosed
EP-2471773-B1 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2016-03-23 EP disclosed
EP-2173713-B1 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2016-02-17 EP disclosed
EP-2173713-B1 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2016-02-17 EP disclosed
WO-2015112441-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-30 WO disclosed
EP-1112275-B1 NOVEL HETEROAROMATIC INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE METABASIS THERAPEUTICS INC (US) 2003-07-30 EP disclosed
US-6489476-B1 FRUCTOSE-1,6-BISPHOSPHATASE ENZYME INHIBITORS ARE USEFUL IN THE TREATMENT OF DIABETES AND OTHER CONDITIONS ASSOCIATED WITH ELEVATED BLOOD GLUCOSE OR EXCESS GLYCOGEN STORAGE. METABASIS THERAPEUTICS, INC. 2002-12-03 US disclosed
US-20020173490-A1 Novel bisamidate phosphonate prodrugs METABASIS THERAPEUTICS, INC. 2002-11-21 US disclosed
EP-1143955-A3 A COMBINATION OF FBPase INHIBITORS AND INSULIN SENSITIZERS FOR THE TREATMENT OF DIABETES Metabasis Therapeutics Inc. (US) 2002-08-28 EP disclosed
CN-1350466-A Combination of FBP enzyme inhibitors and insulin sensitizers for the treatment of diabetes METABASIS THERAPEUTICS INC (US) 2002-05-22 CN disclosed
CN-1326459-A Novel heteroaromatic inhibitors of fructose-1, 6-bisphosphatase METABASIS THERAPEUTICS INC (US) 2001-12-12 CN disclosed
EP-1143955-A2 A COMBINATION OF FBPase INHIBITORS AND INSULIN SENSITIZERS FOR THE TREATMENT OF DIABETES Metabasis Therapeutics Inc. (US) 2001-10-17 EP disclosed
EP-1112275-A1 NOVEL HETEROAROMATIC INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE Metabasis Therapeutics, Inc. (US) 2001-07-04 EP disclosed
WO-2000038666-A2 A COMBINATION OF FBPase INHIBITORS AND INSULIN SENSITIZERS FOR THE TREATMENT OF DIABETES METABASIS THERAPEUTICS, INC. (US) 2000-07-06 WO disclosed
WO-2000014095-A1 NOVEL HETEROAROMATIC INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 2000-03-16 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-20020173490-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, G6PC1 TSHR 3350/4885POLB 1846/4885NPC1 1604/4885
US-20160333021-A1 METALLO-BETA-LACTAMASE INHIBITORS MGAM, MGAM2, GAA TSHR 3605/4885POLB 350/4885NPC1 1641/4885

“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.