SCHEMBL31453035

SCHEMBL31453035

Cc1c(C(=O)NO)oc2ccc(NCCCc3ccccc3)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ HDAC1 Q13547 4/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TP53 P04637 3/20 0.46
▸ USP2 O75604 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ PIK3CD O00329 1/20 0.46
▸ CNR1 P21554 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ HDAC2 Q92769 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL31453060 0.90 NPC1 (0.54) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL26602407 0.90 NPC1 (0.54) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL26602254 0.85 HIF1A (0.57) NPC1RAB9AMEN1KMT2A
SCHEMBL30671960 0.85 HIF1A (0.57) NPC1RAB9AMEN1KMT2A
SCHEMBL30671958 0.85 HIF1A (0.57) NPC1RAB9AMEN1KMT2A
SCHEMBL31453040 0.82 GAA (0.48) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL31453054 0.82 KMT2A (0.48) NPC1RAB9AMEN1KMT2APIK3CD
SCHEMBL31453046 0.80 MCL1 (0.49) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL31453066 0.80 ALDH1A1 (0.48) NPC1RAB9AHTTGAAALDH1A1
SCHEMBL31453037 0.80 MCL1 (0.55) NPC1RAB9AMEN1KMT2ATP53

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 696/4885HDAC1 1175/4885

“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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