SCHEMBL3052930

SCHEMBL3052930

Cc1nc(-c2cc(Cc3ccccc3)no2)sc1C(=O)NCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 11/20 0.67
▸ NPC1 O15118 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ KLKB1 P03952 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49

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
SCHEMBL3048900 0.92 SCD (0.62) SCDNPC1HPGDKLKB1SMN1; SMN2
SCHEMBL3046882 0.80 SCD (1.00) SCDNPC1HPGDKLKB1SMN1; SMN2
SCHEMBL3049304 0.80 SCD (0.67) SCDNPC1HPGDKLKB1SMN1; SMN2
SCHEMBL3045714 0.79 SCD (0.62) SCDNPC1HPGDKLKB1SMN1; SMN2
SCHEMBL3038884 0.78 SCD (1.00) SCDNPC1HPGDKLKB1SMN1; SMN2
SCHEMBL12464767 0.77 HPGD (0.67) SCDNPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL12464771 0.76 HPGD (0.65) SCDNPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL3586148 0.75 SCD (0.73) SCDNPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL243885 0.75 SCD (0.65) SCDNPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL4294474 0.75 HPGD (0.63) SCDNPC1HPGDSMN1; SMN2ALDH1A1

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 7 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-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
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 1/4885NPC1 228/4885HPGD 344/4885

“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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