SCHEMBL5112007

SCHEMBL5112007

c1csc(NC2CCCCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ KDM4E B2RXH2 3/20 0.50
▸ GAA P10253 1/20 0.50
▸ POLB P06746 2/20 0.48
▸ EPHX2 P34913 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ AXL P30530 1/20 0.46
▸ TYRO3 Q06418 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ TYR P14679 1/20 0.39

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
SCHEMBL12574025 0.98 MEN1 (0.57) TSHRMEN1KMT2AKDM4EGAA
SCHEMBL28198370 0.90 — —
SCHEMBL14654943 0.81 MAPT (0.45) TSHRMEN1KMT2AKDM4EPOLB
SCHEMBL4704528 0.81 HRH3 (0.44) TSHRMEN1KMT2AKDM4EPOLB
SCHEMBL29587148 0.80 MEN1 (0.44) TSHRMEN1KMT2AKDM4EPOLB
SCHEMBL14652209 0.78 GRM4 (0.43) TSHRMEN1KMT2AKDM4EEPHX2
SCHEMBL13326607 0.77 CHRM2 (0.44) TSHRMEN1KMT2A
SCHEMBL13326604 0.77 CHRM2 (0.44) TSHRMEN1KMT2A
SCHEMBL974801 0.77 CHRM2 (0.44) TSHRMEN1KMT2A
SCHEMBL2402987 0.76 KDM4E (0.51) TSHRMEN1KMT2AKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104356090-B Thiazole derivative of a kind of glaucocalyxin A and its preparation method and application XINXIANG MEDICAL COLLEGE (CN) 2016-04-06 — — CN disclosed
CN-104356090-A Glaucocalyxin A thiazole derivative, preparation method and application thereof UNIV XINXIANG MEDICAL 2015-02-18 — — CN disclosed
US-7414067-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2008-08-19 — — US disclosed
EP-1610776-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2007-03-28 — — EP disclosed
EP-1515721-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2006-07-26 — — EP disclosed
CN-1791402-A Ophthalmic compositions for treating ocular hypertension MERCK & CO INC (US) 2006-06-21 — — CN disclosed
US-20060069256-A1 Ophthalmic compositions for treating ocular hypertension EVOTEC OAI (GB) 2006-03-30 — — US disclosed
EP-1610776-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co. Inc. (US) 2006-01-04 — — EP disclosed
US-20050256117-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2005-11-17 — — US disclosed
EP-1515721-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2005-03-23 — — EP disclosed
WO-2004087051-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2004-10-14 — — WO disclosed
WO-2003105847-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2003-12-24 — — 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-20060069256-A1 Ophthalmic compositions for treating ocular hypertension KCNN1, KCNN3, KCNN2 TSHR 3877/4885MEN1 1259/4885KMT2A 2607/4885
US-20050256117-A1 Ophthalmic compositions for treating ocular hypertension KCNN1, KCNN3, KCNN2 TSHR 3877/4885MEN1 1259/4885KMT2A 2607/4885

“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.

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