SCHEMBL13408903

SCHEMBL13408903

Cc1ccc2c(C(=O)NC(C)C)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.50
▸ LCK P06239 1/20 0.50
▸ MET P08581 1/20 0.50
▸ KDR P35968 1/20 0.50
▸ TEK Q02763 1/20 0.50
▸ AURKB Q96GD4 1/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ PLK1 P53350 1/20 0.45
▸ MMP3 P08254 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 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
SCHEMBL26885062 0.88 MTNR1A (0.50) AURKALCKMETKDRTEK
SCHEMBL26885152 0.85 AURKA (0.50) AURKALCKMETKDRTEK
SCHEMBL13392412 0.84 ALDH1A1 (0.52) AURKALCKMETKDRTEK
SCHEMBL10274483 0.83 PLK1 (0.67) AURKALCKMETKDRTEK
SCHEMBL26886660 0.82 PTPN1 (0.65) AURKALCKMETKDRTEK
SCHEMBL8737627 0.82 PLK1 (0.66) NPC1RAB9ALMNAALDH1A1POLB
SCHEMBL26886661 0.81 LCK (0.50) AURKALCKMETKDRTEK
SCHEMBL26885787 0.80 CASP6 (0.54) AURKALCKMETKDRTEK
SCHEMBL343944 0.80 NR4A2 (0.53) NPC1RAB9ALMNAALDH1A1CYP1A2
SCHEMBL26885154 0.79 LMNA (0.56) AURKALCKMETKDRTEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF UNIVERSITY OF MIAMI 2023-11-30 — — US disclosed
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 — — 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 (2 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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 AURKA 4397/4885LCK 4411/4885MET 242/4885
US-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF ACE2, ACE, SARS1 AURKA 1451/4885LCK 863/4885MET 1167/4885

“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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