SCHEMBL2626705

SCHEMBL2626705

C=C(C)c1nc(CCC)[nH]c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.37
HCAR2 Q8TDS4 1/20 0.35
GLA P06280 1/20 0.33
RNASEH1 O60930 1/20 0.33
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4C Q9H3R0 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
SCHEMBL651 0.86 PIN1 (0.42) PIN1HCAR2GLARNASEH1KDM5A
SCHEMBL14959719 0.86 PIN1 (0.36) PIN1HCAR2GLARNASEH1KDM5A
SCHEMBL2626703 0.82 ALDH1A1 (0.42) POLBCYP1A2MAPK1CYP2C19
SCHEMBL8431293 0.78 KDM4E (0.43) CYP1A2MAPK1CYP2C19
SCHEMBL7914214 0.77 PARP1 (0.40) PIN1HCAR2MAPK1
SCHEMBL7300490 0.77 HCAR2 (0.44) PIN1HCAR2RNASEH1CYP1A2MAPK1
SCHEMBL9337401 0.75 GPR84 (0.46) PIN1HCAR2CYP1A2MAPK1CASP1
SCHEMBL3025482 0.75 GLA (0.36) PIN1HCAR2GLAKDM5AKDM5B
SCHEMBL14959720 0.73 GLA (0.32) GLAPOLB
SCHEMBL3834785 0.72 CDK4 (0.36) PIN1HCAR2GLAKDM5AKDM5B

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
US-20120095237-A1 Process for the Preparation of 4-(1-Hydroxy-1-Methylethyl)-2-Propyl-Imidazole-5-Carboxylates SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2012-04-19 US disclosed
US-20120095237-A1 Process for the Preparation of 4-(1-Hydroxy-1-Methylethyl)-2-Propyl-Imidazole-5-Carboxylates SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2012-04-19 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-20120095237-A1 Process for the Preparation of 4-(1-Hydroxy-1-Methylethyl)-2-Propyl-Imidazole-5-Carboxylates MED1, ADH1C, ADH1A PIN1 4559/4885HCAR2 272/4885GLA 4707/4885

“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.