SCHEMBL23607113

SCHEMBL23607113

O=C(Nc1nc(N2CCNCC2)cs1)c1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.57
▸ RAB9A P51151 7/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ RCE1 Q9Y256 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.45
▸ CHEK1 O14757 7/20 0.44
▸ HDAC2 Q92769 4/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ IRAK4 Q9NWZ3 2/20 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
SCHEMBL23607128 0.83 PIM1 (0.46) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL23607125 0.79 PRKCA (0.46) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL23607117 0.74 NPC1 (0.51) NPC1RAB9AALDH1A1L3MBTL1MEN1
SCHEMBL29683064 0.73 NPC1 (0.70) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL16256827 0.73 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL29267694 0.72 NPC1 (0.64) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL23607126 0.70 NPC1 (0.39) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL741587 0.70 NPC1 (0.76) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL24242616 0.70 NPC1 (0.69) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL12994113 0.70 RAB9A (0.61) NPC1RAB9AKDM4EALDH1A1TP53

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-20230103415-A1 SMARCA INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-04-06 — — US disclosed
WO-2021133917-A1 SMARCA INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-07-01 — — 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-20230103415-A1 SMARCA INHIBITORS AND USES THEREOF SMARCC1, SMARCE1, SMARCA1 NPC1 2800/4885RAB9A 3171/4885KDM4E 521/4885

“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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