SCHEMBL31453060

SCHEMBL31453060

Cc1c(C(=O)O)oc2ccc(NCCCc3ccccc3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ NR1H4 Q96RI1 1/20 0.52
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MCL1 Q07820 2/20 0.49
▸ HPGD P15428 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ PIK3CD O00329 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ USP2 O75604 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ GPR35 Q9HC97 1/20 0.43

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
SCHEMBL26602407 1.00 NPC1 (0.54) NPC1RAB9AGAANR1H4MEN1
SCHEMBL31453040 0.92 GAA (0.48) NPC1RAB9AGAANR1H4MEN1
SCHEMBL31453054 0.91 KMT2A (0.48) NPC1RAB9AGAANR1H4MEN1
SCHEMBL31453066 0.90 ALDH1A1 (0.48) NPC1RAB9AGAANR1H4MCL1
SCHEMBL31453046 0.90 MCL1 (0.49) NPC1RAB9AGAANR1H4MEN1
SCHEMBL31453035 0.90 NPC1 (0.57) NPC1RAB9AGAANR1H4MEN1
SCHEMBL31453037 0.89 MCL1 (0.55) NPC1RAB9AGAANR1H4MEN1
SCHEMBL31453051 0.88 NPC1 (0.56) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL31453044 0.88 HIF1A (0.50) NPC1RAB9AGAANR1H4MCL1
SCHEMBL30671960 0.88 HIF1A (0.57) NPC1RAB9AMEN1KMT2A

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 NPC1 785/4885RAB9A 696/4885GAA 3415/4885

“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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