SCHEMBL5099382

SCHEMBL5099382

CN1CCc2c(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc3c(c2C1)NC(=O)C3=NO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 3/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
PAX8 Q06710 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 2/20 0.42
CASP3 P42574 4/20 0.40
RXFP1 Q9HBX9 2/20 0.39
CASP1 P29466 1/20 0.38

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
SCHEMBL5099379 1.00 KDM4E (0.44) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL14287061 1.00 KDM4E (0.44) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL14287056 0.91 MEN1 (0.43) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL5103002 0.91 MEN1 (0.43) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL5103008 0.91 MEN1 (0.43) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL5109727 0.90 HTR6 (0.36) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL5109729 0.90 HTR6 (0.36) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL14287060 0.90 HTR6 (0.36) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL6609340 0.90 CASP3 (0.47) KDM4ESMN1; SMN2LMNAHSD17B10KMT2A
SCHEMBL8126480 0.88 GRIA1 (0.38) ALDH1A1MAPTPOLBPKM

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
EP-0781285-B1 FUSED INDOLE AND QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE AS GLUTAMATE ANTAGONISTS NEUROSEARCH AS (DK) 2000-01-12 EP claimed
US-5801174-A CEREBROVASCULAR DISORDERS NEUROSEARCH A/S (DK) 1998-09-01 US claimed
WO-1996008495-A1 FUSED INDOLE AND QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1996-03-21 WO claimed
US-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 US disclosed
EP-0781285-B1 FUSED INDOLE AND QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE AS GLUTAMATE ANTAGONISTS NEUROSEARCH AS (DK) 2000-01-12 EP disclosed
US-5801174-A CEREBROVASCULAR DISORDERS NEUROSEARCH A/S (DK) 1998-09-01 US disclosed
WO-1996008495-A1 FUSED INDOLE AND QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1996-03-21 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-20080004272-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 KDM4E 2625/4885ALDH1A1 4554/4885NPC1 1516/4885

“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.