SCHEMBL3783615

SCHEMBL3783615

O=C(Cc1ccc(O)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 1/20 0.65
KCNJ3 P48549 1/20 0.65
MAPT P10636 4/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
HTT P42858 2/20 0.64
TRPV1 Q8NER1 4/20 0.64
KDR P35968 1/20 0.61
PDK1 Q15118 1/20 0.56
NLRP3 Q96P20 1/20 0.54
LMNA P02545 3/20 0.53
TP53 P04637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
TMPRSS4 Q9NRS4 1/20 0.52
ALDH1A1 P00352 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
SCHEMBL3184994 0.88 MAPT (0.65) KCNJ5KCNJ3MAPTMEN1KMT2A
SCHEMBL3544292 0.87 LMNA (0.65) KCNJ5KCNJ3MAPTMEN1KMT2A
SCHEMBL3542181 0.85 HDAC3 (0.58) KCNJ5KCNJ3MAPTMEN1KMT2A
SCHEMBL15574146 0.84 MAPT (0.61) KCNJ5KCNJ3MAPTMEN1KMT2A
SCHEMBL26546756 0.83 KDR (0.76) KCNJ5KCNJ3MAPTMEN1KMT2A
SCHEMBL281864 0.82 KDR (0.85) TRPV1KDRPDK1
SCHEMBL13004812 0.80 KDR (0.71) KCNJ5KCNJ3MAPTMEN1KMT2A
SCHEMBL4443052 0.80 KDR (0.71) KCNJ5KCNJ3MAPTMEN1KMT2A
SCHEMBL15687774 0.80 KCNJ5 (0.63) KCNJ5KCNJ3MAPTMEN1KMT2A
SCHEMBL28898825 0.80 CA1 (0.74) MAPTTRPV1KDRLMNA

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-20100298385-A1 PROTEIN KINASE INHIBITORS USEFUL FOR TREATMENT OF CANCERS DU, XIAOMIN (CN) 2010-11-25 US disclosed
US-20100298385-A1 PROTEIN KINASE INHIBITORS USEFUL FOR TREATMENT OF CANCERS DU, XIAOMIN (CN) 2010-11-25 US disclosed
US-20100298385-A1 PROTEIN KINASE INHIBITORS USEFUL FOR TREATMENT OF CANCERS DU, XIAOMIN (CN) 2010-11-25 US disclosed
CN-101896460-A Be applicable to the kinases inhibitor of treatment cancer XIAOMIN U 2010-11-24 CN disclosed
CN-101220024-A A set of anti-cancer compound restraining kinase XIAOMIN DU (CN) 2008-07-16 CN 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-20100298385-A1 PROTEIN KINASE INHIBITORS USEFUL FOR TREATMENT OF CANCERS MAP3K6, MAP3K20, MAP3K5 KCNJ5 1862/4885KCNJ3 1941/4885MAPT 2275/4885

“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.