SCHEMBL3051829

SCHEMBL3051829

COC(=O)c1sc(-n2[nH]c(C)c(Cc3ccc(Cl)cc3)c2=O)nc1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALKBH3 Q96Q83 5/20 0.47
▸ THRB P10828 2/20 0.45
▸ MT-CO1 P00395 2/20 0.45
▸ MT-CO2 P00403 2/20 0.45
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ PLA2G2A P14555 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ KAT8 Q9H7Z6 1/20 0.40
▸ AR P10275 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL3046881 0.89 KDM4E (0.50) ALKBH3THRBMT-CO1MT-CO2ALDH1A1
SCHEMBL8339292 0.70 SMN1; SMN2 (0.72) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15258790 0.66 KDM4E (0.81) ALKBH3MT-CO1MT-CO2GAAKAT8
SCHEMBL8343603 0.66 SMN1; SMN2 (0.64) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4274888 0.64 MAPT (0.60) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8343595 0.64 NPC1 (0.75) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8346352 0.63 RAB9A (0.53) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL244748 0.63 SCD (0.62) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5213978 0.62 MAPT (0.48) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL27923747 0.62 MAPT (0.56) MAPTALDH1A1MEN1KMT2ASMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101595105-B 2-substituted 5-membered heterocycles as SCD inhibitors NOVARTIS AG 2013-01-23 — — CN disclosed
US-8258160-B2 SCD1 inhibitors triazole and tetrazole compounds NOVARTIS AG (CH) 2012-09-04 — — US disclosed
US-8258160-B2 SCD1 inhibitors triazole and tetrazole compounds NOVARTIS AG (CH) 2012-09-04 — — US disclosed
US-8258160-B2 SCD1 inhibitors triazole and tetrazole compounds NOVARTIS AG (CH) 2012-09-04 — — US disclosed
US-20100029722-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-04 — — US disclosed
US-20100029722-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-04 — — US disclosed
US-20100029722-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-04 — — US disclosed
CN-101595105-A 5 membered heterocyclic compounds that replace as the 2-of SCD inhibitor NOVARTIS AG XENON PHARMACEUTIC (CH) 2009-12-02 — — CN disclosed
EP-2121671-A1 2-SUBSTITUTED 5-MEMBERED HETEROCYCLES AS SCD INHIBITORS Novartis AG (CH) 2009-11-25 — — EP disclosed
WO-2008074835-A1 2-SUBSTITUTED 5-MEMBERED HETEROCYCLES AS SCD INHIBITORS NOVARTIS AG (CH) 2008-06-26 — — 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 (1 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-20100029722-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 ALKBH3 258/4885THRB 3340/4885MT-CO1 650/4885

“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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