SCHEMBL4142132

SCHEMBL4142132

CC(=O)NN=Cc1cc(C#N)sc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
GFER P55789 1/20 0.36
NPC1 O15118 3/20 0.33
POLB P06746 2/20 0.33
KDM1A O60341 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL14087221 1.00 KDM4E (0.43) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL4153107 0.70 ERN1 (0.33) TDP1
SCHEMBL25468304 0.62 DAO (0.57) KDM4EALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL19472593 0.61 KDM4E (1.00) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL18025294 0.61 LMNA (0.55) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL14912476 0.60 KDM4E (0.42) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL14912475 0.60 KDM4E (0.42) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL24823068 0.60 POLB (0.60) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL24823781 0.60 KMT2A (0.60) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL13080741 0.60 KDM4E (0.56) KDM4EALDH1A1KMT2AMEN1LMNA

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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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 (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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B KDM4E 2622/4885ALDH1A1 2731/4885KMT2A 810/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDM4E 2795/4885ALDH1A1 2713/4885KMT2A 741/4885

“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.