SCHEMBL5954700

SCHEMBL5954700

CC(C)(C(=O)O)c1ccc(Cl)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.34
PPARA Q07869 2/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 2/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1550807 0.98 LMNA (0.41) LMNAKMT2AHTTMEN1PPARA
Lithium Ion SCHEMBL1550804 0.83 LMNA (0.41) LMNAKMT2AHTTMEN1MAPT
SCHEMBL31292247 0.80 LMNA (0.43) LMNAKMT2AMEN1MAPTCYP2C19
SCHEMBL31292476 0.80 TSHR (0.35) KMT2AMEN1MAPTCYP1A2CYP3A4
SCHEMBL38654785 0.77 AR (0.31) KMT2AMAPTKDM4E
SCHEMBL29099264 0.76 LMNA (0.40) LMNAKMT2AHTTMAPTCYP2D6
SCHEMBL249487 0.76 CNR2 (0.46) LMNAKMT2APPARACYP1A2CYP3A4
SCHEMBL31292375 0.76 NNMT (0.46) LMNAKMT2AMEN1MAPTCYP2C19
SCHEMBL1000276 0.75 ALDH1A1 (0.40) LMNAKMT2AHTTMEN1MAPT
SCHEMBL3177257 0.74 ALDH1A1 (0.38) LMNAKMT2AHTTMAPTCYP1A2

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
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-20100063054-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-11 US disclosed
US-20100063054-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-11 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-20100063054-A1 cMET INHIBITORS CEPT1, LCAT, GNMT LMNA 3512/4885KMT2A 394/4885HTT 2712/4885

“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.