SCHEMBL240482

SCHEMBL240482

CC(C)(C)OC(=O)Nc1cnc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.61
HDAC4 P56524 3/20 0.61
HDAC1 Q13547 3/20 0.61
KDM4E B2RXH2 5/20 0.60
HDAC3 O15379 2/20 0.59
HDAC7 Q8WUI4 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC9 Q9UKV0 2/20 0.59
HDAC5 Q9UQL6 2/20 0.59
KDR P35968 1/20 0.58
RAB9A P51151 9/20 0.58
NPC1 O15118 8/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
POLB P06746 2/20 0.58
MAPT P10636 2/20 0.58
HSD17B10 Q99714 3/20 0.56

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
SCHEMBL845872 0.91 TRPV1 (0.71) TRPV1HDAC4KDM4EKDRRAB9A
SCHEMBL27894588 0.86 MAP4K4 (0.53) TRPV1HDAC4HDAC1KDM4EHDAC3
SCHEMBL8568774 0.85 KDM4E (0.67) TRPV1HDAC4HDAC1KDM4EHDAC3
SCHEMBL14784253 0.84 SYK (0.47) TRPV1HDAC4HDAC1KDM4EHDAC3
SCHEMBL846497 0.84 CNR2 (0.47) TRPV1HDAC4HDAC1KDM4EHDAC3
SCHEMBL12101564 0.83 HDAC4 (0.45) TRPV1HDAC4HDAC1KDM4EHDAC3
SCHEMBL28237660 0.83 CNR2 (0.47) TRPV1HDAC4HDAC1KDM4EHDAC3
SCHEMBL4071391 0.83 MALT1 (0.55) TRPV1HDAC4HDAC1KDM4EHDAC3
SCHEMBL257596 0.82 NPC1 (0.65) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL2730100 0.82 NAMPT (0.49) TRPV1HDAC4HDAC1KDM4EHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110603253-B Heteroaryl phenylamino quinolines and analogs 拜耳公司 2023-01-20 CN disclosed
WO-2020182929-A1 SUBSTITUTED UREAS AND DERIVATIVES AS NEW ANTIFUNGAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-09-17 WO disclosed
EP-2613775-B1 N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2014-07-30 EP disclosed
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 US disclosed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012031993-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 US disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 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 (3 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-20100233116-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 TRPV1 501/4885HDAC4 82/4885HDAC1 17/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 TRPV1 382/4885HDAC4 330/4885HDAC1 136/4885
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER HNMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRAS TRPV1 2668/4885HDAC4 24/4885HDAC1 36/4885

“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.