SCHEMBL2292280

SCHEMBL2292280

Nc1ccc2c(c1)ncn2C(CC(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
FGFR1 P11362 2/20 0.43
F10 P00742 3/20 0.40
FFAR1 O14842 3/20 0.39
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 1/20 0.39
HCAR3 P49019 1/20 0.38
F2 P00734 2/20 0.37
PHGDH O43175 1/20 0.36
PRSS1 P07477 1/20 0.36
LCK P06239 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CTSA P10619 1/20 0.35

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
SCHEMBL5303602 0.93 FGFR1 (0.47) POLBSMN1; SMN2TDP1FGFR1ITGB3
SCHEMBL2295849 0.93 FGFR1 (0.47) POLBSMN1; SMN2TDP1FGFR1ITGB3
SCHEMBL2295709 0.88 TNF (0.40) SMN1; SMN2FGFR1F10HSD17B10MAPT
SCHEMBL2294961 0.87 FGFR1 (0.41) POLBSMN1; SMN2TDP1FGFR1ITGB3
SCHEMBL2294495 0.86 HPGD (0.47) POLBSMN1; SMN2TDP1FFAR1HSD17B10
SCHEMBL2299858 0.84 SMN1; SMN2 (0.51) POLBSMN1; SMN2TDP1FGFR1FFAR1
SCHEMBL12419757 0.84 FGFR1 (0.43) SMN1; SMN2FGFR1F10HSD17B10MAPT
SCHEMBL2298461 0.83 POLB (0.46) POLBSMN1; SMN2TDP1FGFR1ITGB3
SCHEMBL2299828 0.83 ALDH1A1 (0.49) POLBTDP1FGFR1MAPTPHGDH
SCHEMBL2296336 0.82 ITGB3 (0.41) POLBSMN1; SMN2TDP1FGFR1ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO 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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 POLB 4465/4885SMN1; SMN2 2159/4885TDP1 4157/4885

“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.