SCHEMBL18028318

SCHEMBL18028318

Cc1ccc2c3ccccc3n(C)c2c1C#N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALKBH5 Q6P6C2 1/20 0.57
▸ FTO Q9C0B1 1/20 0.57
▸ KDM4E B2RXH2 4/20 0.51
▸ MAPT P10636 1/20 0.51
▸ EGFR P00533 1/20 0.51
▸ SRC P12931 1/20 0.51
▸ GPR3 P46089 1/20 0.47
▸ LMNA P02545 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ TSHR P16473 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ NPC1 O15118 1/20 0.43

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
SCHEMBL18030949 0.84 EGFR (0.51) ALKBH5FTOKDM4EMAPTEGFR
SCHEMBL16644620 0.78 ALKBH5 (0.67) ALKBH5FTOKDM4EMAPTGPR3
SCHEMBL3423943 0.76 GPR3 (0.71) ALKBH5FTOKDM4EMAPTGPR3
SCHEMBL13564071 0.76 GPR3 (0.71) ALKBH5FTOKDM4EMAPTGPR3
SCHEMBL24848716 0.75 ALKBH5 (0.62) ALKBH5FTOKDM4EMAPTGPR3
SCHEMBL17032702 0.75 ALKBH5 (0.58) ALKBH5FTOKDM4EMAPTEGFR
SCHEMBL1161411 0.74 EGFR (0.64) KDM4EMAPTEGFRSRCGPR3
SCHEMBL146377 0.73 ALKBH5 (1.00) ALKBH5FTOKDM4EMAPTGPR3
SCHEMBL20115855 0.73 KDM4E (0.68) ALKBH5FTOKDM4EMAPTEGFR
SCHEMBL20153649 0.72 ALKBH5 (0.59) ALKBH5FTOKDM4EMAPTGPR3

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-20170098781-A1 NEW DIBENZOFURANS AND DIBENZOTHIOPHENES IDEMITSU KOSAN CO., LTD. (JP) 2017-04-06 — — US disclosed
US-20160248026-A1 NITRILE SUBSTITUTED DIBENZOFURANS IDEMITSU KOSAN CO., LTD. (JP) 2016-08-25 — — 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-20170098781-A1 NEW DIBENZOFURANS AND DIBENZOTHIOPHENES DBF4, DDT, SLC43A3 ALKBH5 1111/4885FTO 509/4885KDM4E 2610/4885
US-20160248026-A1 NITRILE SUBSTITUTED DIBENZOFURANS DBF4, NXF1, NCF1 ALKBH5 601/4885FTO 426/4885KDM4E 1878/4885

“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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