SCHEMBL6798259

SCHEMBL6798259

NCCCn1nc2c(c1C(=O)O)Cc1ccc(O)cc1-2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.37
ESR1 P03372 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP2C9 P11712 1/20 0.32
PDPK1 O15530 1/20 0.32
CDK2 P24941 1/20 0.32
TNF P01375 2/20 0.32
CES2 O00748 1/20 0.32
AKR1B1 P15121 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
HSD17B1 P14061 1/20 0.31
RXRA P19793 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31

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
Bromide SCHEMBL6795275 0.99 HCAR2 (0.37) HCAR2ESR1MAOAMAOBCYP2C9
SCHEMBL6793002 0.93 HCAR2 (0.41) HCAR2ESR1CYP2C9PDPK1CDK2
Bromide SCHEMBL6799686 0.92 HCAR2 (0.41) HCAR2ESR1CYP2C9PDPK1CDK2
Hydrochloric Acid SCHEMBL1656581 0.82 HCAR2 (0.44) HCAR2ESR1CYP2C9PDPK1CDK2
Bromide SCHEMBL1658121 0.79 PDPK1 (0.39) HCAR2CYP2C9PDPK1CDK2GABRA1
Bromide SCHEMBL1660480 0.77 CDK2 (0.39) HCAR2CYP2C9PDPK1CDK2HSD17B1
SCHEMBL6792318 0.76 PDPK1 (0.35) HCAR2PDPK1CDK2
SCHEMBL6792438 0.75 PDPK1 (0.34) HCAR2PDPK1CDK2
Hydrochloric Acid SCHEMBL6792819 0.74 ESR1 (0.33) HCAR2ESR1CYP2C9
Bromide SCHEMBL1655616 0.74 PDPK1 (0.34) HCAR2PDPK1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 HCAR2 1767/4885ESR1 4622/4885MAOA 2249/4885

“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.