SCHEMBL16587410

SCHEMBL16587410

Cc1cccc(C)c1Cn1c(C)nc2ccc(C(=O)O)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 8/20 0.56
▸ ACSS2 Q9NR19 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.46
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ GALR3 O60755 1/20 0.44
▸ NR2F2 P24468 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ THRB P10828 1/20 0.43
▸ TNF P01375 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 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
SCHEMBL6170515 0.88 SLC22A12 (0.58) SLC22A12ACSS2HSD17B10HDAC1HDAC6
SCHEMBL16587411 0.86 KDM4E (0.56) SLC22A12ACSS2HDAC1HDAC6NPC1
SCHEMBL6171451 0.86 NPC1 (0.63) ACSS2HSD17B10HDAC1HDAC6NPC1
SCHEMBL11976682 0.84 ACSS2 (0.52) SLC22A12ACSS2
SCHEMBL6169195 0.84 TNF (0.62) ACSS2HSD17B10HDAC1HDAC6GALR3
SCHEMBL18662767 0.81 ACSS2 (0.61) ACSS2HSD17B10NPC1RAB9ATHRB
SCHEMBL6170384 0.80 HDAC1 (0.57) ACSS2HDAC1HDAC6GALR3NR2F2
SCHEMBL6172134 0.80 HDAC1 (0.57) ACSS2HDAC1HDAC6GALR3NR2F2
SCHEMBL6170393 0.80 HDAC1 (0.57) ACSS2HSD17B10HDAC1HDAC6GALR3
SCHEMBL16587412 0.80 RAB9A (0.54) SLC22A12HSD17B10HDAC1HDAC6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359350-B2 Ring-fused compound SATO PHARMACEUTICAL CO., LTD. (JP) 2016-06-07 — — US disclosed
US-20150203490-A1 RING-FUSED COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2015-07-23 — — US disclosed
US-8987473-B2 Ring-fused compound SATO PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 — — 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-20150203490-A1 RING-FUSED COMPOUND URB2, RCOR1, RCC2 SLC22A12 394/4885ACSS2 1340/4885HSD17B10 2507/4885

“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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