SCHEMBL30729100

SCHEMBL30729100

COc1ccc(-c2ccc3[nH]ccc3c2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.51
▸ MAP3K11 Q16584 2/20 0.50
▸ ABCB1 P08183 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ HCRTR1 O43613 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ F7 P08709 1/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ F3 P13726 1/20 0.47
▸ AHR P35869 1/20 0.47
▸ NR4A2 P43354 1/20 0.47
▸ PRKCQ Q04759 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ TUBB4A P04350 2/20 0.45
▸ TUBB P07437 2/20 0.45

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
SCHEMBL27074766 1.00 NPC1 (0.51) NPC1MAP3K11ABCB1MEN1KMT2A
SCHEMBL4339872 0.85 MAP3K11 (0.63) NPC1MAP3K11ABCB1MEN1KMT2A
SCHEMBL566226 0.84 S1PR1 (0.65) NPC1MEN1KMT2ARAB9A
SCHEMBL12326172 0.79 PTGS2 (0.53) NPC1MEN1KMT2AAHRPTGS2
SCHEMBL30173311 0.79 BRD4 (0.65) MAP3K11LRRK2
SCHEMBL7866316 0.78 CSNK2A1 (0.55) NPC1MEN1KMT2AF7LTA4H
SCHEMBL965266 0.78 CSNK2A1 (0.50) NPC1MEN1KMT2AF7LTA4H
SCHEMBL5850255 0.77 NPC1 (0.79) NPC1MAP3K11F7LTA4HF3
SCHEMBL28961546 0.77 KMO (0.44) MEN1KMT2ARAB9APTGS2KMO
SCHEMBL7089083 0.77 NPC1 (0.62) NPC1ABCB1MEN1KMT2AHCRTR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240034736-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. 2024-02-01 — — 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-20240034736-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B11, HSD17B1 NPC1 332/4885MAP3K11 2522/4885ABCB1 355/4885

“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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