SCHEMBL21164252

SCHEMBL21164252

Cc1ccc(CCCC(=O)NCCC[C@H](NC(=O)CC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALB P02768 14/20 0.58
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
CA9 Q16790 1/20 0.44
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
TGM2 P21980 1/20 0.43

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
SCHEMBL19628836 0.90 ALB (0.72) ALBLMNAPKMCA9
SCHEMBL19628839 0.84 HDAC3 (0.56) LMNAPKMHDAC3HDAC4HDAC1
SCHEMBL19849096 0.81 ALB (0.65) ALBLMNAPKMCA9HDAC3
SCHEMBL19840125 0.81 ALB (0.61) ALBLMNAPKMCA9HDAC3
SCHEMBL25499408 0.78 PKM (0.53) ALBLMNAPKMHDAC3HDAC4
SCHEMBL19628835 0.78 ALB (0.76) ALBLMNAPKMCA9
SCHEMBL4925430 0.78 ALB (0.50) ALBHDAC1
SCHEMBL4925425 0.78 ALB (0.50) ALBHDAC1
SCHEMBL31706002 0.77 ALB (0.74) ALBLMNAPKMCA9
SCHEMBL26612506 0.76 ALB (0.57) ALBLMNAPKMCA9HDAC3

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-10350315-B2 Quinoline-3-carboxamide compounds and their use in diagnosis Westfaelische Wihelms-Universitaet Muenster (DE) 2019-07-16 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 (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-10350315-B2 Quinoline-3-carboxamide compounds and their use in diagnosis S100A9, S100A4, S100A10 ALB 68/4885LMNA 861/4885PKM 3650/4885

“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.