SCHEMBL3100500

SCHEMBL3100500

CCN(CC)C(=O)C(CCc1ccc(NC(=O)c2ccccn2)cc1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
HPGD P15428 1/20 0.49
PKM P14618 2/20 0.48
HTT P42858 1/20 0.48
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
KDR P35968 1/20 0.44
GRM4 Q14833 7/20 0.43
KDM4E B2RXH2 1/20 0.42
MITF O75030 1/20 0.42
USP30 Q70CQ3 2/20 0.41
LARS1 Q9P2J5 1/20 0.41
MAPT P10636 1/20 0.41
PTGS2 P35354 1/20 0.40

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
SCHEMBL3093062 0.96 NPC1 (0.48) NPC1RAB9AHPGDPKMHTT
SCHEMBL3097370 0.92 NPC1 (0.51) NPC1RAB9AHPGDPKMHTT
Hydrochloric Acid SCHEMBL3101058 0.91 NPC1 (0.50) NPC1RAB9AHPGDPKMHTT
SCHEMBL3091266 0.88 LMNA (0.44) LMNASMN1; SMN2KDM4ELARS1MAPT
SCHEMBL3093089 0.85 KDR (0.51) NPC1RAB9AHPGDPKMHTT
SCHEMBL3084604 0.84 LMNA (0.44) LMNASMN1; SMN2MAPK1KDM4ELARS1
SCHEMBL3097672 0.84 RAB9A (0.53) NPC1RAB9AHPGDPKMHTT
SCHEMBL15000148 0.83 LARS1 (0.45) HPGDGAALMNASMN1; SMN2MAPK1
SCHEMBL15000268 0.82 LARS1 (0.50) LMNAKDM4ELARS1
SCHEMBL3084783 0.82 LARS1 (0.40) NPC1RAB9ALMNATP53KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 NPC1 3306/4885RAB9A 826/4885HPGD 1736/4885

“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.