SCHEMBL5455174

SCHEMBL5455174

Cc1cc(C)c2[nH]c(=O)c(CC(C)C(N)=O)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.52
▸ ALDH1A1 P00352 6/20 0.52
▸ HSD17B10 Q99714 4/20 0.52
▸ KMT2A Q03164 3/20 0.46
▸ GUSB P08236 6/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.44
▸ HTT P42858 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ USP2 O75604 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ NPY1R P25929 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ GRIN2D O15399 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
SCHEMBL5449392 0.77 KDM4E (0.53) KDM4EALDH1A1HSD17B10KMT2AGUSB
SCHEMBL5455181 0.77 ALDH1A1 (0.53) KDM4EALDH1A1HSD17B10KMT2AGUSB
SCHEMBL24278256 0.73 ALDH1A1 (0.57) KDM4EALDH1A1HSD17B10KMT2AGUSB
SCHEMBL5447135 0.73 ALDH1A1 (0.51) KDM4EALDH1A1HSD17B10KMT2AGUSB
SCHEMBL5455177 0.71 KDM4E (0.52) KDM4EALDH1A1HSD17B10KMT2AGUSB
SCHEMBL3629921 0.71 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10KMT2AGUSB
SCHEMBL20800911 0.69 TAAR1 (0.65) KDM4EALDH1A1HSD17B10KMT2AGUSB
SCHEMBL20798352 0.68 KDM4E (0.54) KDM4EALDH1A1HSD17B10KMT2AGUSB
SCHEMBL5453511 0.68 HSD17B10 (0.52) KDM4EALDH1A1HSD17B10KMT2AGUSB
SCHEMBL21549811 0.66 KDM4E (0.40) KDM4EALDH1A1HSD17B10KMT2AGUSB

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-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 — — 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-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof ABCG2, ATP5ME, ATP5MG KDM4E 2403/4885ALDH1A1 1055/4885HSD17B10 1580/4885

“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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