SCHEMBL3583709

SCHEMBL3583709

CCOC(=O)COCc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.55
TSHR P16473 1/20 0.53
ALDH1A1 P00352 2/20 0.49
TRPM8 Q7Z2W7 1/20 0.46
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
CYP17A1 P05093 1/20 0.45
CYP19A1 P11511 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
GRM2 Q14416 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
GRM5 P41594 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL10468620 0.89 HSD11B1 (0.51) HSD11B1TSHRALDH1A1TRPM8KMT2A
SCHEMBL11433938 0.83 CHRNA7 (0.55) TSHRALDH1A1TRPM8TDP1
SCHEMBL7622605 0.83 LMNA (0.47) TSHRALDH1A1KMT2ALMNAMAPT
SCHEMBL30225124 0.81 NAPRT (0.59) TSHRALDH1A1KMT2ANAPRTCYP17A1
SCHEMBL701469 0.81 NAPRT (0.59) TSHRALDH1A1KMT2ANAPRTCYP17A1
SCHEMBL19002297 0.81 HSD11B1 (0.57) HSD11B1KMT2ALMNANAPRTCYP17A1
SCHEMBL1902114 0.81 HSD11B1 (0.51) HSD11B1ALDH1A1KMT2ALMNAMAPT
SCHEMBL52219 0.81 ALDH1A1 (0.52) TSHRALDH1A1KMT2ALMNAMEN1
SCHEMBL10663986 0.80 TBXAS1 (0.53) TSHRALDH1A1TRPM8
SCHEMBL29557056 0.80 KMT2A (0.51) HSD11B1ALDH1A1TRPM8KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190083482-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2019-03-21 US disclosed
US-20190083482-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2019-03-21 US disclosed
EP-3406607-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-11-28 EP disclosed
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-06-14 US disclosed
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-06-14 US disclosed
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-06-14 US disclosed
EP-2935243-B1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF EPIZYME INC (US) 2018-03-14 EP disclosed
EP-2935243-B1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF EPIZYME INC (US) 2018-03-14 EP disclosed
US-9765068-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 US disclosed
US-9765068-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 US disclosed
US-20100144739-A1 HETEROCYCLIC INHIBITORS OF C-MET AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-10 US disclosed
US-20100144739-A1 HETEROCYCLIC INHIBITORS OF C-MET AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-10 US disclosed
EP-2066676-A1 HETEROCYCLIC INHIBITORS OF c-MET AND USES THEREOF Vertex Pharmaceuticals, Inc. (US) 2009-06-10 EP disclosed
WO-2008036272-A1 HETEROCYCLIC INHIBITORS OF c-MET AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-27 WO disclosed
WO-2008036272-A1 HETEROCYCLIC INHIBITORS OF c-MET AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-27 WO disclosed
EP-0083186-B1 THIAZOLE DERIVATIVES AS H2-RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1988-05-11 EP disclosed
US-4468399-A ANTISECRETORY AGENTS, ANTIHISTAMINES ELI LILLY AND COMPANY (US) 1984-08-28 US disclosed
EP-0083186-A2 Thiazole derivatives as H2-receptor antagonists ELI LILLY AND COMPANY (US) 1983-07-06 EP disclosed
US-4216318-A HISTAMINE HZ-ANTAGONISTS, ISOCYTOSINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-08-05 US disclosed
US-4154834-A HETEROCYCLIC-(THIO)ALKYLAMINO SUBSTITUTED-4-PYRIMIDONE OR -THIONES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 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 (3 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-20190083482-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 HSD11B1 2304/4885TSHR 3498/4885ALDH1A1 2460/4885
US-20100144739-A1 HETEROCYCLIC INHIBITORS OF C-MET AND USES THEREOF MET, RET, ABL1 HSD11B1 4127/4885TSHR 1522/4885ALDH1A1 1383/4885
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 HSD11B1 2213/4885TSHR 3733/4885ALDH1A1 2705/4885

“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.