SCHEMBL31453063

SCHEMBL31453063

C#Cc1cccc(CCCNc2ccc3oc(C(=O)O)c(C)c3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MCL1 Q07820 2/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HPGD P15428 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ BCL2L1 Q07817 1/20 0.37
▸ HIF1A Q16665 2/20 0.36
▸ GPR35 Q9HC97 1/20 0.36

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
SCHEMBL31453054 0.87 KMT2A (0.48) GAANPC1RAB9AMCL1NR1H4
SCHEMBL31453060 0.87 NPC1 (0.54) GAANPC1RAB9AMCL1NR1H4
SCHEMBL26602407 0.87 NPC1 (0.54) GAANPC1RAB9AMCL1NR1H4
SCHEMBL31453037 0.85 MCL1 (0.55) GAANPC1RAB9AMCL1NR1H4
SCHEMBL31453040 0.85 GAA (0.48) GAANPC1RAB9AMCL1NR1H4
SCHEMBL31453051 0.84 NPC1 (0.56) GAANPC1RAB9AKDM4EMEN1
SCHEMBL31453030 0.80 MCL1 (0.49) GAANPC1RAB9AMCL1KDM4E
SCHEMBL31453046 0.80 MCL1 (0.49) GAANPC1RAB9AMCL1NR1H4
SCHEMBL31453066 0.80 ALDH1A1 (0.48) GAANPC1RAB9AMCL1NR1H4
SCHEMBL30626157 0.79 GAA (0.64) GAANR1H4HPGDTSHRALDH1A1

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-20250275958-A1 GPCR REGULATOR AND USE THEREOF Beijing Changping Laboratory (CN) 2025-09-04 — — US disclosed
EP-4512803-A1 GPCR REGULATOR AND USE THEREOF Beijing Changping Laboratory (CN) 2025-02-26 — — EP 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-20250275958-A1 GPCR REGULATOR AND USE THEREOF ARRB1, GPR3, GPR4 GAA 3415/4885NPC1 785/4885RAB9A 696/4885

“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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