SCHEMBL425702

SCHEMBL425702

COc1nc(C(=O)C=CC2CCCC2)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
POLB P06746 1/20 0.47
NR3C2 P08235 5/20 0.36
PGR P06401 4/20 0.36
NR3C1 P04150 1/20 0.36
AR P10275 1/20 0.36
PADI4 Q9UM07 3/20 0.34
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 1/20 0.32
TBK1 Q9UHD2 3/20 0.32
GLA P06280 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
KDM4A O75164 1/20 0.30

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
SCHEMBL425701 1.00 TDP1 (0.47) TDP1POLBNR3C2PGRNR3C1
SCHEMBL426997 0.89 PDCD1 (0.37) TDP1POLBPADI4KDM4EMAPT
SCHEMBL426996 0.89 PDCD1 (0.37) TDP1POLBPADI4KDM4EMAPT
SCHEMBL429047 0.68 MAPK1 (0.56) KDM4EL3MBTL1KMT2ASMN1; SMN2
SCHEMBL429046 0.68 MAPK1 (0.56) KDM4EL3MBTL1KMT2ASMN1; SMN2
SCHEMBL25148692 0.68 POLB (0.50) TDP1POLBNR3C2PGRNR3C1
SCHEMBL3991152 0.67 CPS1 (0.55) MAPTKMT2A
SCHEMBL19322686 0.66 PADI4 (0.50) TDP1PADI4GRIN1GRIN2BKDM4E
SCHEMBL5194755 0.66 PADI4 (0.50) TDP1PADI4GRIN1GRIN2BKDM4E
SCHEMBL5194748 0.66 PADI4 (0.50) TDP1PADI4GRIN1GRIN2BKDM4E

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
EP-2417121-A1 4, 5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES Pfizer Inc. (US) 2012-02-15 EP disclosed
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. 2012-01-26 US disclosed
WO-2010116282-A1 4, 5-DIHYDRO-LH-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. (US) 2010-10-14 WO 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-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES NR3C2, REN, AGTR1 TDP1 4559/4885POLB 3481/4885NR3C2 1/4885

“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.