SCHEMBL4987787

SCHEMBL4987787

CCSc1cc(C)nc(SCC)c1NC(=O)CSc1nc2ccccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.65
MPO P05164 3/20 0.64
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
ALDH1A1 P00352 2/20 0.59
LMNA P02545 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
PTPN1 P18031 1/20 0.56
RECQL P46063 1/20 0.55
MAPT P10636 2/20 0.55
SOAT1 P35610 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PRMT5 O14744 1/20 0.54
WDR77 Q9BQA1 1/20 0.54

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
SCHEMBL4987403 0.89 LMNA (0.67) POLBLMNAMAPTSOAT1
SCHEMBL4987412 0.88 LMNA (0.65) POLBLMNAMAPTSOAT1
SCHEMBL4986541 0.87 LMNA (0.64) POLBLMNAMAPTSOAT1
SCHEMBL4983244 0.87 LMNA (0.64) POLBLMNAMAPTSOAT1
SCHEMBL4983723 0.87 LMNA (0.64) POLBLMNAMAPTSOAT1
SCHEMBL4983652 0.87 LMNA (0.64) POLBLMNAMAPTSOAT1
SCHEMBL4984778 0.85 MPO (0.62) POLBMPOCYP1A2CYP3A4CYP2C9
SCHEMBL14970915 0.79 POLB (0.67) POLBMPOCYP1A2CYP3A4CYP2C9
SCHEMBL4985807 0.79 POLB (0.69) POLBCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4990028 0.79 NPC1 (0.69) POLBCYP1A2CYP3A4CYP2C9CYP2C19

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-7414066-B2 Amide compounds and medications containing the same technical field KOWA COMPANY LTD. (JP) 2008-08-19 US disclosed
US-7393866-B2 Amide compounds and medications containing the same KOWA COMPANY, LTD. (JP) 2008-07-01 US disclosed
EP-0979823-B1 NOVEL AMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2006-03-29 EP disclosed
US-20050131001-A1 Novel amide compounds and medications containing the same technical field KOWA COMPANY LTD. (JP) 2005-06-16 US disclosed
US-20050131002-A1 Novel amide compounds and medications containing the same KOWA COMPANY LTD. (JP) 2005-06-16 US disclosed
US-6849647-B1 Amide compounds and medications containing the same technical field KOWA COMPANY, LTD. (JP) 2005-02-01 US disclosed
EP-0979823-A1 NOVEL AMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME Kowa Company Ltd. (JP) 2000-02-16 EP 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-20050131001-A1 Novel amide compounds and medications containing the same technical field ACAT2, SULT2A1, ACAT1 POLB 4033/4885MPO 3119/4885CYP1A2 392/4885
US-20050131002-A1 Novel amide compounds and medications containing the same ACAT2, SULT2A1, ACAT1 POLB 4025/4885MPO 3018/4885CYP1A2 490/4885

“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.