SCHEMBL31535595

SCHEMBL31535595

CC(C)(COc1c(Cl)nc(Cl)nc1NCCc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.42
▸ SSTR3 P32745 1/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ POLB P06746 1/20 0.41
▸ SLC2A1 P11166 1/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ PKM P14618 1/20 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
SCHEMBL31535601 0.88 FAAH (0.44) NPC1RAB9APDPK1RPS6KB1KMT2A
SCHEMBL30698012 0.86 SSTR3 (0.44) PDPK1RPS6KB1SSTR3KMT2APOLB
SCHEMBL30278063 0.83 SSTR3 (0.42) PDPK1RPS6KB1SSTR3POLBHDAC3
SCHEMBL29244465 0.83 HDAC3 (0.46) SSTR3HDAC3HDAC1HDAC2HDAC6
SCHEMBL29244778 0.83 SSTR3 (0.42) PDPK1RPS6KB1SSTR3POLBHDAC3
SCHEMBL30278175 0.83 HDAC3 (0.46) SSTR3HDAC3HDAC1HDAC2HDAC6
SCHEMBL29244547 0.83 HDAC3 (0.46) SSTR3HDAC3HDAC1HDAC2HDAC6
SCHEMBL31535585 0.83 HDAC3 (0.46) SSTR3HDAC3HDAC1HDAC2HDAC6
SCHEMBL29244466 0.83 HDAC3 (0.46) SSTR3HDAC3HDAC1HDAC2HDAC6
SCHEMBL29244432 0.83 KMT2A (0.47) NPC1RAB9APDPK1RPS6KB1KMT2A

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
EP-4396191-B1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2026-02-18 — — EP disclosed
US-20250129092-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2025-04-24 — — 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 (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-20250129092-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING AHR, ARNT, AIPL1 NPC1 1586/4885RAB9A 3072/4885PDPK1 1263/4885

“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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