SCHEMBL755355

SCHEMBL755355

COc1cccc(OC)c1C(=O)CBr

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
HPGDS O60760 1/20 0.53
GSK3B P49841 1/20 0.48
TAAR1 Q96RJ0 1/20 0.45
PPARA Q07869 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL23117231 0.89 CA1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL16921588 0.89 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL3459740 0.89 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL16661301 0.88 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL16787530 0.86 HPGDS (0.49) CA12CA1CA2CA7CA9
SCHEMBL27517664 0.82 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL8239580 0.82 CA9 (0.61) CA12CA1CA2CA7CA9
SCHEMBL5707733 0.81 PPARG (0.47) GSK3BPPARAKDM4EALDH1A1HSD17B10
SCHEMBL12248740 0.78 HPGDS (0.47) HPGDSGSK3BALDH1A1SMN1; SMN2POLB
SCHEMBL27861005 0.78 CA12 (0.57) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308636-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-04 US disclosed
EP-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 EP disclosed
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 US disclosed
US-20010039275-A1 Use of 2,4-diaminothiazole derivatives NOVO NORDISK A/S (DK) 2001-11-08 US disclosed
WO-2001056567-A1 2,4-DIAMINOTHIAZOLE DERIVATIVES AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 (GSK-3) INHIBITORS NOVO NORDISK A/S (DK) 2001-08-09 WO disclosed
EP-0904274-A4 FARNESYL TRANSFERASE INHIBITORS BIOMEASURE INC (US) 1999-12-29 EP disclosed
US-5958950-A CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1999-09-28 US disclosed
EP-0904274-A1 FARNESYL TRANSFERASE INHIBITORS Biomeasure Incorporated (US) 1999-03-31 EP disclosed
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed
WO-1997030053-A9 FARNESYL TRANSFERASE INHIBITORS 1997-10-30 WO disclosed
WO-1997030053-A1 FARNESYL TRANSFERASE INHIBITORS BIOMEASURE INCORPORATED (US) 1997-08-21 WO disclosed
WO-1997012615-A1 BENZIMIDAZOLE DERIVATIVES AS 15-LO INHIBITORS WARNER-LAMBERT COMPANY (US) 1997-04-10 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 (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-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 CA12 2718/4885CA1 3248/4885CA2 1729/4885
US-20010039275-A1 Use of 2,4-diaminothiazole derivatives GSK3A, GSK3B, GSKIP CA12 3671/4885CA1 2506/4885CA2 2632/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CA12 4630/4885CA1 4422/4885CA2 4439/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 CA12 2718/4885CA1 3248/4885CA2 1729/4885

“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.