SCHEMBL4413790

SCHEMBL4413790

O=C1Nc2ccc(F)cc2C1=Cc1ccc(C(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.73
▸ KMT2A Q03164 2/20 0.73
▸ PIM1 P11309 2/20 0.67
▸ JAK3 P52333 2/20 0.60
▸ ALK Q9UM73 1/20 0.58
▸ METAP1 P53582 1/20 0.57
▸ KDR P35968 2/20 0.57
▸ FLT3 P36888 3/20 0.56
▸ PDPK1 O15530 1/20 0.54
▸ TLK2 Q86UE8 1/20 0.54
▸ MAPT P10636 1/20 0.53
▸ PSEN1 P49768 1/20 0.52
▸ PSEN2 P49810 1/20 0.52
▸ APH1B Q8WW43 1/20 0.52
▸ NCSTN Q92542 1/20 0.52
▸ APH1A Q96BI3 1/20 0.52
▸ PSENEN Q9NZ42 1/20 0.52
▸ LRRK2 Q5S007 1/20 0.52
▸ PDGFRB P09619 1/20 0.52

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
SCHEMBL4413785 1.00 MEN1 (0.73) MEN1KMT2APIM1JAK3ALK
SCHEMBL29638292 0.87 KDR (0.72) MEN1KMT2AJAK3METAP1KDR
SCHEMBL14674419 0.87 KDR (0.72) MEN1KMT2AJAK3METAP1KDR
SCHEMBL14674418 0.87 KDR (0.72) MEN1KMT2AJAK3METAP1KDR
SCHEMBL4411386 0.86 FLT3 (0.56) MEN1KMT2APIM1JAK3ALK
SCHEMBL4411383 0.86 FLT3 (0.56) MEN1KMT2APIM1JAK3ALK
SCHEMBL3755027 0.85 FLT3 (0.71) MEN1KMT2AJAK3ALKKDR
SCHEMBL3755030 0.85 FLT3 (0.71) MEN1KMT2AJAK3ALKKDR
SCHEMBL13080901 0.85 FLT3 (0.71) MEN1KMT2AJAK3ALKKDR
SCHEMBL5366302 0.84 MEN1 (0.73) MEN1KMT2APIM1JAK3METAP1

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-7863315-B2 2-indolinone derivatives as selective histone deacetylase inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES, LTD. (JP) 2011-01-04 — — US disclosed
US-20090182029-A1 2-INDOLINONE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE INHIBITORS CHIPSCREEN BIOSCIENCES, LTD. (CN) 2009-07-16 — — 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-20090182029-A1 2-INDOLINONE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 MEN1 4334/4885KMT2A 86/4885PIM1 2951/4885

“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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