SCHEMBL14133992

SCHEMBL14133992

Cc1ccccc1C1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1C(=O)CCCC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.72
▸ ITGB3 P05106 1/20 0.71
▸ ITGAV P06756 1/20 0.71
▸ ALDH1A1 P00352 4/20 0.56
▸ MAPT P10636 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ KDM4E B2RXH2 5/20 0.56
▸ PKM P14618 3/20 0.56
▸ GLA P06280 2/20 0.56
▸ GAA P10253 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ BCL2 P10415 2/20 0.56
▸ BECN1 Q14457 2/20 0.56
▸ RXRA P19793 1/20 0.55
▸ RXRB P28702 1/20 0.55
▸ RXRG P48443 1/20 0.55
▸ HTT P42858 3/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ MAOB P27338 1/20 0.53

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
SCHEMBL14133802 0.94 KMT2A (0.64) KMT2AITGB3ITGAVALDH1A1MAPT
SCHEMBL14133322 0.90 KMT2A (0.71) KMT2AITGB3ITGAVALDH1A1MAPT
SCHEMBL14133370 0.89 KMT2A (0.77) KMT2AITGB3ITGAVALDH1A1MAPT
SCHEMBL14133306 0.88 KDM4E (0.72) KMT2AITGB3ITGAVALDH1A1MAPT
SCHEMBL14133948 0.85 MAPT (0.61) KMT2AITGB3ITGAVALDH1A1MAPT
SCHEMBL14133991 0.85 KDM4E (0.77) KMT2AITGB3ITGAVALDH1A1MAPT
SCHEMBL14133317 0.85 MAOB (0.71) KMT2AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL14133400 0.84 KDM4E (0.67) KMT2AITGB3ITGAVALDH1A1MAPT
SCHEMBL14132819 0.83 MAPT (0.76) KMT2AITGB3ITGAVALDH1A1MAPT
SCHEMBL12717634 0.83 ITGB3 (1.00) KMT2AITGB3ITGAVALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012160447-A1 3, 5 -DIPHENYL- SUBSTITUTED PYRAZOLINES FOR THE TREATMENT OF CANCER, PROLIFERATIVE, INFLAMMATORY OR AUTOIMMUNE DISEASES DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-11-29 — — WO disclosed
US-20120302609-A1 Pyrazolines for the Modulation of PKM2 DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-11-29 — — US disclosed
US-20120302609-A1 Pyrazolines for the Modulation of PKM2 DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-11-29 — — 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-20120302609-A1 Pyrazolines for the Modulation of PKM2 PDK2, PDK4, PDK3 KMT2A 531/4885ITGB3 3209/4885ITGAV 4168/4885

“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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