SCHEMBL5700390

SCHEMBL5700390

C=C(C)c1ccncc1I

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
GSK3B P49841 1/20 0.39
KDM4C Q9H3R0 9/20 0.39
KDM6B O15054 4/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4D Q6B0I6 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
KDM4A O75164 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
SIRT3 Q9NTG7 1/20 0.37
HDAC8 Q9BY41 1/20 0.32
HASPIN Q8TF76 1/20 0.31
LMNA P02545 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
SCHEMBL5700507 0.83 TDP1 (0.37) MAPTGSK3BKDM4CKDM6BKDM4E
SCHEMBL16414446 0.81 KDM4C (0.44) MAPTGSK3BKDM4CKDM6BKDM4E
SCHEMBL16852630 0.80 TDP1 (0.41) MAPTGSK3BKDM4CKDM6BKDM4E
SCHEMBL31068950 0.75 KDM4E (0.57) MAPTGSK3BKDM4CKDM6BKDM4E
SCHEMBL19273667 0.75 LOXL2 (0.39) MAPTGSK3BKDM4CKDM6BKDM4E
SCHEMBL526501 0.75 CCNC (0.36) MAPTGSK3BKDM4CKDM6BKDM4E
SCHEMBL5700488 0.75 GAA (0.43) MAPTGSK3BKDM4CKDM6BKDM4E
SCHEMBL29741235 0.75 TDP1 (0.59) MAPTGSK3BKDM4CKDM6BKDM4E
SCHEMBL29740415 0.75 TDP1 (0.59) MAPTGSK3BKDM4CKDM6BKDM4E
SCHEMBL1023235 0.74 KDM4C (0.61) MAPTKDM4CKDM6BKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 EP 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-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 MAPT 4407/4885GSK3B 1274/4885KDM4C 2243/4885

“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.