SCHEMBL3046881

SCHEMBL3046881

Cc1nc(-n2[nH]c(C)c(Cc3ccc(Cl)cc3)c2=O)sc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ ALKBH3 Q96Q83 7/20 0.49
▸ THRB P10828 1/20 0.47
▸ KAT8 Q9H7Z6 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ MT-CO1 P00395 2/20 0.45
▸ MT-CO2 P00403 2/20 0.45
▸ HTT P42858 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ XDH P47989 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL3051829 0.89 ALKBH3 (0.47) KDM4ESMN1; SMN2ALKBH3THRBKAT8
SCHEMBL4285011 0.72 RAB9A (0.71) KDM4ENPC1SMN1; SMN2POLBRAB9A
SCHEMBL245171 0.70 SCD (0.67) KDM4ENPC1SMN1; SMN2POLBRAB9A
SCHEMBL14162432 0.69 RAB9A (0.46) KDM4ENPC1SMN1; SMN2POLBRAB9A
SCHEMBL15258790 0.68 KDM4E (0.81) KDM4EALKBH3KAT8MT-CO1MT-CO2
SCHEMBL2069278 0.68 RAB9A (1.00) KDM4ENPC1SMN1; SMN2POLBRAB9A
SCHEMBL2564163 0.65 KDM4E (0.67) KDM4EALKBH3KAT8MT-CO1MT-CO2
SCHEMBL3035110 0.65 RAB9A (0.61) KDM4ENPC1SMN1; SMN2POLBRAB9A
SCHEMBL627033 0.64 SMN1; SMN2 (0.52) KDM4ENPC1SMN1; SMN2POLBRAB9A
SCHEMBL8345831 0.63 RAB9A (0.86) KDM4ENPC1SMN1; SMN2POLBRAB9A

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 KDM4E 683/4885NPC1 228/4885SMN1; SMN2 3581/4885

“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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