SCHEMBL10143664

SCHEMBL10143664

CNC12CCC(Cn3c1nc(C(=O)NCc1ccc(F)cc1)c(OS(C)(=O)=O)c3=O)C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
CYP2C9 P11712 1/20 0.37
GLA P06280 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
THRB P10828 1/20 0.34
GAA P10253 1/20 0.33
RCE1 Q9Y256 1/20 0.33
POLB P06746 1/20 0.33

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
Hydrochloric Acid SCHEMBL420291 0.99 KCNH2 (0.39) KCNH2SMN1; SMN2CYP2C9GLANPSR1
SCHEMBL10144297 0.86 KCNH2 (0.41) KCNH2SMN1; SMN2CYP2C9GLANPSR1
SCHEMBL416290 0.86 KCNH2 (0.39) KCNH2SMN1; SMN2CYP2C9GLANPSR1
SCHEMBL419920 0.86 CYP2C9 (0.42) KCNH2SMN1; SMN2CYP2C9GLANPSR1
Hydrochloric Acid SCHEMBL418376 0.86 KCNH2 (0.41) KCNH2SMN1; SMN2CYP2C9GLANPSR1
SCHEMBL416417 0.82 KCNH2 (0.40) KCNH2SMN1; SMN2CYP2C9GLANPSR1
SCHEMBL63263 0.82 KCNH2 (0.50) KCNH2SMN1; SMN2CYP2C9GLANPSR1
SCHEMBL52342 0.81 KCNH2 (0.50) KCNH2SMN1; SMN2CYP2C9NPSR1MEN1
Hydrochloric Acid SCHEMBL420026 0.80 KCNH2 (0.49) KCNH2SMN1; SMN2CYP2C9NPSR1MEN1
SCHEMBL415681 0.79 KCNE1 (0.40) KCNH2SMN1; SMN2CYP2C9GLANPSR1

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-20120022045-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS VENKATRAMAN SHANKAR (US) 2012-01-26 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-20120022045-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS CCND3, CDK3, CDK2 KCNH2 2502/4885SMN1; SMN2 3919/4885CYP2C9 1960/4885

“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.