SCHEMBL1481576

SCHEMBL1481576

COc1ccc(/C=C/c2nc(-c3ccc(C(C)(C)C)cc3)c[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
TRPV1 Q8NER1 5/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM1A O60341 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RELA Q04206 2/20 0.39
TRPA1 O75762 1/20 0.39
PDGFRB P09619 1/20 0.39

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
SCHEMBL1481579 1.00 KDM4E (0.48) KDM4EMAPTTRPV1HSP90AA1HSP90AB1
SCHEMBL1481561 0.85 MAPT (0.50) KDM4EMAPTNPC1HPGDRAB9A
SCHEMBL1480924 0.85 MAPT (0.50) KDM4EMAPTNPC1HPGDRAB9A
SCHEMBL1481409 0.85 KDM4E (0.62) KDM4EMAPTNPC1HPGDRAB9A
SCHEMBL6533694 0.85 KDM4E (0.62) KDM4EMAPTNPC1HPGDRAB9A
SCHEMBL6533695 0.85 KDM4E (0.62) KDM4EMAPTNPC1HPGDRAB9A
SCHEMBL1480927 0.85 MAPT (0.50) KDM4EMAPTNPC1HPGDRAB9A
SCHEMBL1480689 0.85 TRPV1 (0.40) KDM4EMAPTTRPV1NPC1HPGD
SCHEMBL1481565 0.85 MAPT (0.50) KDM4EMAPTNPC1HPGDRAB9A
SCHEMBL1481406 0.85 KDM4E (0.62) KDM4EMAPTNPC1HPGDRAB9A

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
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ KDM4E 672/4885MAPT 3558/4885TRPV1 3437/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ KDM4E 672/4885MAPT 3558/4885TRPV1 3437/4885

“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.