SCHEMBL4990028

SCHEMBL4990028

CCSc1cc(C)nc(SCC)c1NC(=O)CSc1nc2ccccc2s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.69
POLB P06746 1/20 0.69
RAB9A P51151 1/20 0.69
MAPT P10636 5/20 0.57
HSD17B10 Q99714 2/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 2/20 0.56
USP2 O75604 1/20 0.56
PTPN1 P18031 1/20 0.56
SOAT1 P35610 1/20 0.55
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 2/20 0.53
CYP3A4 P08684 2/20 0.53
GAA P10253 1/20 0.53
CYP2C9 P11712 1/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
PKM P14618 1/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53

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
SCHEMBL4985368 0.89 LMNA (0.67) NPC1POLBRAB9AMAPTHPGD
SCHEMBL4985347 0.88 LMNA (0.65) NPC1POLBRAB9AMAPTHPGD
SCHEMBL4981905 0.87 LMNA (0.64) NPC1POLBRAB9AMAPTHPGD
SCHEMBL4982610 0.87 LMNA (0.64) NPC1POLBRAB9AMAPTHPGD
SCHEMBL4981691 0.87 LMNA (0.64) NPC1POLBRAB9AMAPTHPGD
SCHEMBL4988095 0.87 LMNA (0.64) NPC1POLBRAB9AMAPTHPGD
SCHEMBL4981315 0.87 SOAT1 (0.70) NPC1POLBRAB9AMAPTHSD17B10
SCHEMBL4979917 0.85 NPC1 (0.67) NPC1POLBRAB9AMAPTHSD17B10
SCHEMBL11353143 0.80 SMN1; SMN2 (0.77) NPC1POLBRAB9AMAPTHSD17B10
SCHEMBL4987787 0.79 POLB (0.65) POLBMAPTPTPN1SOAT1ALDH1A1

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-20050131002-A1 Novel amide compounds and medications containing the same KOWA COMPANY LTD. (JP) 2005-06-16 US disclosed
US-20050131001-A1 Novel amide compounds and medications containing the same technical field 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 NPC1 472/4885POLB 4033/4885RAB9A 4297/4885
US-20050131002-A1 Novel amide compounds and medications containing the same ACAT2, SULT2A1, ACAT1 NPC1 476/4885POLB 4025/4885RAB9A 4258/4885

“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.