SCHEMBL3036845

SCHEMBL3036845

CCOC(=O)c1sc(-c2cn(CC(F)(F)c3ccccc3)nn2)nc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
SCD O00767 1/20 0.49
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
CDC7 O00311 4/20 0.47
DBF4 Q9UBU7 4/20 0.47
MAPT P10636 4/20 0.45
NPC1 O15118 3/20 0.45
HPGD P15428 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
TRPM8 Q7Z2W7 2/20 0.45
HSP90AA1 P07900 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
CYP2C9 P11712 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
DHODH Q02127 1/20 0.41

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
SCHEMBL3036035 0.89 SCD (0.53) LMNASCDALDH1A1KDM4EMAPT
SCHEMBL3043036 0.83 SCD (0.69) LMNASCDALDH1A1KDM4ECDC7
SCHEMBL3046762 0.81 MAPT (0.55) LMNASCDALDH1A1KDM4ECDC7
SCHEMBL3045472 0.78 SCD (0.56) LMNASCDALDH1A1KDM4ECDC7
SCHEMBL3043064 0.77 SCD (0.65) SCDKDM4ERAB9APOLBSMN1; SMN2
SCHEMBL3048629 0.76 LMNA (0.49) LMNASCDALDH1A1KDM4ECDC7
SCHEMBL3053651 0.76 KDM4E (0.50) LMNASCDALDH1A1KDM4ECDC7
SCHEMBL3050331 0.76 LMNA (0.51) LMNASCDALDH1A1KDM4ECDC7
SCHEMBL1316281 0.73 CDC7 (0.77) LMNAALDH1A1KDM4ECDC7DBF4
Fluorobenzene SCHEMBL27905966 0.72 SCD (0.54) LMNASCDALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 LMNA 2176/4885SCD 1/4885ALDH1A1 451/4885

“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.