SCHEMBL1334786

SCHEMBL1334786

c1ccc2sc(C(COCC(CN3CCCCC3)c3nc4ccccc4s3)CN3CCCCC3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSF1 Q00613 2/20 0.50
▸ LTA4H P09960 8/20 0.46
▸ KCNH2 Q12809 1/20 0.45
▸ LOXL2 Q9Y4K0 1/20 0.42
▸ ATP4A P20648 3/20 0.41
▸ ATP4B P51164 3/20 0.41
▸ MGLL Q99685 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL6569582 0.86 HSF1 (0.48) HSF1LTA4HKCNH2LOXL2ATP4A
SCHEMBL6569010 0.80 HSF1 (0.47) HSF1LTA4HKCNH2LOXL2ATP4A
SCHEMBL1334787 0.74 LTA4H (0.50) HSF1LTA4HKCNH2LOXL2ATP4A
SCHEMBL2782358 0.69 MGLL (0.46) MGLLHPGDRAB9ASMN1; SMN2NPC1
SCHEMBL31010170 0.69 LTA4H (0.58) LTA4HKCNH2RAB9ASMN1; SMN2NPC1
SCHEMBL12465076 0.68 LOXL2 (0.60) LOXL2HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL30093448 0.68 LOXL2 (0.60) LOXL2HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL29447341 0.67 KCNH2 (0.59) LTA4HKCNH2RAB9ASMN1; SMN2NPC1
SCHEMBL7773349 0.66 HTR1A (0.50) LOXL2HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL491694 0.66 LTA4H (0.78) LTA4HKCNH2ATP4AATP4B

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
EP-1100503-B1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H 3?-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ILE BIOPROJET SOC CIV (FR) 2004-09-22 — — EP claimed
US-20110281844-A1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SCHWARTZ JEAN-CHARLES (FR) 2011-11-17 — — 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-20110281844-A1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS HRH3, HRH4, HRH2 HSF1 2541/4885LTA4H 511/4885KCNH2 427/4885

“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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