SCHEMBL6403836

SCHEMBL6403836

C=CCN(C)CCCCOc1ccc2c(c1)CCN2C(=S)Nc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LSS P48449 15/20 0.45
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 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
SCHEMBL6404874 0.95 LSS (0.44) LSSMEN1KMT2AMAPT
SCHEMBL6399632 0.94 LSS (0.45) LSSMEN1KMT2A
SCHEMBL5637168 0.89 LSS (0.41) LSSNPC1POLBHTTRAB9A
SCHEMBL6398746 0.88 NPC1 (0.42) LSSNPC1POLBHTTRAB9A
SCHEMBL5639493 0.88 LSS (0.44) LSSPOLBSMN1; SMN2MAPT
SCHEMBL5637280 0.87 LSS (0.47) LSSMEN1KMT2A
SCHEMBL5971331 0.85 TP53 (0.39) POLBHTTSMN1; SMN2MEN1KMT2A
SCHEMBL5639431 0.85 LSS (0.44) LSSMEN1KMT2A
SCHEMBL6404546 0.84 LSS (0.40) LSSMEN1KMT2AMAPT
SCHEMBL5637376 0.83 LSS (0.48) LSSMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US claimed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
US-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives AEBI JOHANNES (CH) 2005-01-27 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 (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-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 LSS 2/4885NPC1 171/4885POLB 4298/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 LSS 65/4885NPC1 149/4885POLB 870/4885

“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.