SCHEMBL4882861

SCHEMBL4882861

Cc1cc2cc[c]cc2n1C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.33
PDGFRB P09619 4/20 0.33
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL2734800 0.87 KDR (0.33) KDRPDGFRBAKR1C3AKR1C2
SCHEMBL31122079 0.76 KDR (0.51) KDRPDGFRBHDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL28136871 0.75 KDR (0.50) KDRPDGFRBHDAC1HDAC2HDAC8
Benzene SCHEMBL28136154 0.75 KDR (0.50) KDRPDGFRBKDM4ETP53
SCHEMBL27736798 0.72 AKR1C3 (0.33) AKR1C3AKR1C2KDM4E
SCHEMBL5676146 0.72 JAK2 (0.35) HDAC1HDAC2
SCHEMBL17673679 0.72 MEN1 (0.34) KDM4E
SCHEMBL3341263 0.71 SLC9A1 (0.43) KDM4E
SCHEMBL12505506 0.71 TUBB1 (0.38) AKR1C3AKR1C2
SCHEMBL28136870 0.70 KDR (0.49) KDRPDGFRBHDAC1HDAC2HDAC8

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-20080255169-A1 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread BIOTIE THERAPIES CORPORATION (FI) 2008-10-16 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-20080255169-A1 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread NR1I2, ITGA2, ITGB2 KDR 127/4885PDGFRB 69/4885HDAC1 229/4885

“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.