SCHEMBL3048776

SCHEMBL3048776

Cc1cc(-c2ncn(Cc3ccc(F)cc3)n2)sc1C(=O)NCc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 6/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ HPGD P15428 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ TSHR P16473 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RECQL P46063 1/20 0.43
▸ GLA P06280 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42

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
SCHEMBL3053672 0.90 SCD (0.48) SCDLMNAHDAC1HDAC6MAPT
SCHEMBL245376 0.76 SCD (0.77) SCDSMN1; SMN2KDM4ETDP1
SCHEMBL3046884 0.76 TSHR (0.51) LMNAALDH1A1NPSR1MAPK1BLM
SCHEMBL244519 0.74 SCD (0.78) SCDSMN1; SMN2KDM4ETDP1ALDH1A1
SCHEMBL13137832 0.73 SCD (0.60) SCDSMN1; SMN2KDM4ETDP1LMNA
SCHEMBL12195636 0.73 TSHR (0.62) LMNAALDH1A1NPSR1HPGDGAA
SCHEMBL3056668 0.72 SCD (0.72) SCDSMN1; SMN2KDM4ETDP1HDAC1
SCHEMBL3045480 0.71 SCD (0.61) SCDSMN1; SMN2KDM4ETDP1
SCHEMBL3051517 0.71 HPGD (0.57) LMNAALDH1A1NPSR1HPGDGAA
SCHEMBL3042184 0.71 SCD (0.60) SCDALDH1A1HPGDGAATSHR

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 6 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-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

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 1/4885SMN1; SMN2 3581/4885KDM4E 683/4885

“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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