SCHEMBL3049245

SCHEMBL3049245

CCOC(=O)c1sc(-n2cc(CC(C)c3ccccc3)nn2)nc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
SCD O00767 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
APOBEC3G Q9HC16 1/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
CSNK1D P48730 2/20 0.41
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 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
SCHEMBL3053080 0.89 SCD (0.57) KMT2AMEN1SCDSMN1; SMN2NPC1
SCHEMBL3049049 0.83 SCD (0.57) KMT2AMEN1SCDSMN1; SMN2NPC1
SCHEMBL3049274 0.81 SCD (0.56) KMT2AMEN1SCDSMN1; SMN2NPC1
SCHEMBL3036025 0.70 SCD (0.62) KMT2ASCDSMN1; SMN2NPC1RAB9A
SCHEMBL3053069 0.70 SCD (0.69) SCDALDH1A1LMNA
SCHEMBL16154157 0.69 KMT2A (0.58) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL3051877 0.69 SCD (0.60) SCDSMN1; SMN2NPC1
SCHEMBL242637 0.68 KMT2A (0.51) KMT2AMEN1SCDSMN1; SMN2NPC1
SCHEMBL8818904 0.66 KMT2A (0.55) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL3050196 0.66 SCD (0.83) SCD

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 4 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-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 KMT2A 2098/4885MEN1 4876/4885SCD 1/4885

“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.