SCHEMBL3045684

SCHEMBL3045684

Cc1nc(-c2cn(CC3CC3)nn2)sc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.49
KDM4E B2RXH2 4/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 6/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 4/20 0.42
POLB P06746 1/20 0.41
TARBP2 Q15633 1/20 0.38
HTR2C P28335 1/20 0.37
P2RX3 P56373 1/20 0.37
XDH P47989 2/20 0.36
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL3051764 0.88 SCD (0.47) SCDKDM4EKMT2ASMN1; SMN2RAB9A
SCHEMBL3050331 0.86 LMNA (0.51) SCDKDM4EKMT2ASMN1; SMN2RAB9A
SCHEMBL3050161 0.78 SCD (0.76) SCDKDM4EKMT2ASMN1; SMN2RAB9A
SCHEMBL3040175 0.77 SCD (0.62) SCDKDM4ESMN1; SMN2RAB9APOLB
Fluorobenzene SCHEMBL27905966 0.75 SCD (0.54) SCDKDM4EKMT2ASMN1; SMN2RAB9A
SCHEMBL3053065 0.75 SCD (0.62) SCDKDM4EKMT2ASMN1; SMN2RAB9A
SCHEMBL3048629 0.75 LMNA (0.49) SCDKDM4EKMT2ASMN1; SMN2RAB9A
SCHEMBL3036035 0.74 SCD (0.53) SCDKDM4EKMT2ASMN1; SMN2RAB9A
SCHEMBL3043042 0.74 SCD (0.50) SCDKDM4EKMT2ASMN1; SMN2RAB9A
SCHEMBL3053097 0.73 SCD (0.59) SCDKDM4EKMT2ASMN1; SMN2RAB9A

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 11 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
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 SCD 1/4885KDM4E 683/4885KMT2A 2098/4885

“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.