SCHEMBL4144775

SCHEMBL4144775

CN1CCN(Cc2ccc(CO)o2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.52
NPSR1 Q6W5P4 1/20 0.47
MC4R P32245 1/20 0.46
NPC1 O15118 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALK Q9UM73 1/20 0.41
CHKA P35790 1/20 0.41
HTT P42858 1/20 0.41
ERAP1 Q9NZ08 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL11186313 0.91 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL13115503 0.84 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL28811140 0.83 KDM4E (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL4143939 0.82 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL7329753 0.81 KDM4E (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL4143256 0.80 HTT (0.61) ALDH1A1KMT2AMEN1SMN1; SMN2NPSR1
SCHEMBL14049742 0.80 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL14375213 0.79 ACHE (0.49) ALDH1A1KMT2AMEN1POLBNPSR1
SCHEMBL11523316 0.79 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1KDM4ENPSR1
SCHEMBL2283356 0.79 GFER (0.62) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E

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 8 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN 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 ALDH1A1 2731/4885KMT2A 810/4885MEN1 4415/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B ALDH1A1 2713/4885KMT2A 741/4885MEN1 4470/4885

“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.