SCHEMBL15436562

SCHEMBL15436562

O=C(CCl)NC12CC3CC(C1)C(N1C(=O)c4ccccc4C1=O)C(C3)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 4/20 0.47
KDM4E B2RXH2 3/20 0.47
PSMB5 P28074 1/20 0.46
HPGD P15428 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
RAB9A P51151 3/20 0.43
JAK2 O60674 1/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
G6PD P11413 1/20 0.42
PKM P14618 1/20 0.42
ALOX12 P18054 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CNR2 P34972 1/20 0.42
EPHX2 P34913 2/20 0.41

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
SCHEMBL13195981 1.00 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1KDM4EPSMB5
SCHEMBL13195980 0.89 PSMB5 (0.48) ALDH1A1KMT2AMEN1KDM4EPSMB5
SCHEMBL15436458 0.89 PSMB5 (0.48) ALDH1A1KMT2AMEN1KDM4EPSMB5
SCHEMBL13195986 0.85 FAAH (0.42) ALDH1A1KMT2AMEN1KDM4EPSMB5
SCHEMBL15436471 0.85 FAAH (0.42) ALDH1A1KMT2AMEN1KDM4EPSMB5
SCHEMBL13195577 0.83 CNR2 (0.43) ALDH1A1KMT2AMEN1KDM4EPSMB5
SCHEMBL15436462 0.83 CNR2 (0.43) ALDH1A1KMT2AMEN1KDM4EPSMB5
SCHEMBL76313 0.76 CNR2 (0.41) ALDH1A1KMT2AMEN1KDM4EPSMB5
SCHEMBL13195576 0.76 HSD11B1 (0.36) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL15436765 0.76 HSD11B1 (0.36) ALDH1A1KMT2AMEN1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2687515-A1 METHOD FOR PRODUCING PYRAZOLECARBOXYLIC ACID DERIVATIVE Shionogi & Co., Ltd. (JP) 2014-01-22 EP disclosed
US-20140012013-A1 METHOD FOR PRODUCING PYRAZOLE CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 2014-01-09 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-20140012013-A1 METHOD FOR PRODUCING PYRAZOLE CARBOXYLIC ACID DERIVATIVE HSD11B1, HSD11B2, HSD17B1 ALDH1A1 115/4885KMT2A 3174/4885MEN1 1534/4885

“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.