SCHEMBL26805408

SCHEMBL26805408

O=[N+]([O-])c1ccc2c(cnn2C(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.55
MAPT P10636 6/20 0.42
NOS1 P29475 2/20 0.42
POLB P06746 2/20 0.42
MAOB P27338 1/20 0.42
SLC6A2 P23975 1/20 0.40
CYP19A1 P11511 1/20 0.40
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
KDR P35968 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL30475930 1.00 GLS (0.55) GLSMAPTNOS1POLBMAOB
SCHEMBL15910897 0.88 GLS (0.45) GLSMAPTNOS1POLBMAOB
SCHEMBL30168559 0.88 GLS (0.45) GLSMAPTNOS1POLBMAOB
SCHEMBL5352816 0.85 GLS (0.55) GLSMAPTNOS1POLBMAOB
SCHEMBL31304574 0.85 GLS (0.55) GLSMAPTNOS1POLBMAOB
SCHEMBL25273981 0.82 GLS (0.52) GLSMAPTNOS1POLBMAOB
SCHEMBL5382257 0.80 GLS (0.53) GLSMAPTNOS1POLBMAOB
SCHEMBL27985287 0.80 GLS (0.62) GLSMAPTNOS1POLBMAOB
SCHEMBL14910007 0.78 GLS (0.65) GLSMAPTNOS1POLBMAOB
SCHEMBL18188106 0.76 GLS (0.58) GLSMAPTNOS1POLBMAOB

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-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 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-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF F7, F11, HABP2 GLS 490/4885MAPT 4565/4885NOS1 1318/4885

“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.