SCHEMBL5865777

SCHEMBL5865777

C=CCN1C(=O)SC(=Cc2ccc(N(C)C)c(-c3cc4c(cc3C)n(C)c(=O)c(=O)n4C)c2)C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.59
▸ GAA P10253 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ KMT2A Q03164 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ HTT P42858 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MYC P01106 1/20 0.38
▸ MAX P61244 1/20 0.38
▸ HSD17B3 P37058 1/20 0.38
▸ DNM1 Q05193 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37

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
SCHEMBL5865773 1.00 ALDH1A1 (0.59) ALDH1A1GAASMN1; SMN2KMT2AMAPT
SCHEMBL5865515 0.86 ALDH1A1 (0.40) ALDH1A1GAASMN1; SMN2KMT2AMAPT
SCHEMBL5865514 0.86 ALDH1A1 (0.40) ALDH1A1GAASMN1; SMN2KMT2AMAPT
SCHEMBL5789836 0.78 GSK3B (0.48) GAARAB9AMAOAMAOBHPGD
SCHEMBL5789834 0.78 GSK3B (0.48) GAARAB9AMAOAMAOBHPGD
SCHEMBL5792577 0.74 POLB (0.35) ALDH1A1LMNA
SCHEMBL6542313 0.71 POLB (0.33) ALDH1A1GAASMN1; SMN2KMT2AMAPT
SCHEMBL6542316 0.71 POLB (0.33) ALDH1A1GAASMN1; SMN2KMT2AMAPT
SCHEMBL19519995 0.70 ALDH1A1 (0.54) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL12177156 0.70 ALDH1A1 (0.61) ALDH1A1GAASMN1; SMN2KMT2AMAPT

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
US-20060160796-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases PFAHL MAGNUS 2006-07-20 — — US disclosed
US-7071218-B2 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases INCYTE SAN DIEGO INCORPORATED (US) 2006-07-04 — — US disclosed
EP-1456187-A4 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES INCYTE SAN DIEGO INC (US) 2005-02-09 — — EP disclosed
EP-1456187-A1 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES Incyte San Diego Incorporated (US) 2004-09-15 — — EP disclosed
US-20030144329-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. (US) 2003-07-31 — — US disclosed
WO-2003043998-A1 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-05-30 — — 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 (2 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-20030144329-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases CYP27A1, CYP46A1, PNLIP ALDH1A1 1505/4885GAA 559/4885SMN1; SMN2 4037/4885
US-20060160796-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases CYP27A1, PC, PNLIP ALDH1A1 1857/4885GAA 557/4885SMN1; SMN2 4059/4885

“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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