SCHEMBL19989959

SCHEMBL19989959

COC(=O)c1cc(-c2cc(F)ncc2F)cc(N)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 5/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 3/20 0.34
GLA P06280 2/20 0.34
MAPT P10636 3/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
PKM P14618 1/20 0.32
ABL1 P00519 1/20 0.32
OPRK1 P41145 1/20 0.31
GUSB P08236 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
RECQL P46063 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
SCHEMBL19989757 0.83 KDM4E (0.47) CFTRALDH1A1KDM4EGAAGLA
SCHEMBL19989759 0.79 CFTR (0.36) CFTRALDH1A1KDM4EGAAGLA
SCHEMBL19990011 0.75 ALDH1A1 (0.47) CFTRALDH1A1KDM4EGAAGLA
SCHEMBL1202303 0.75 KDM4E (0.42) CFTRALDH1A1KDM4EGAAGLA
SCHEMBL19990005 0.74 PIK3CB (0.45) CFTRALDH1A1KDM4EGAAGLA
SCHEMBL1116207 0.73 ABL1 (0.54) CFTRALDH1A1KDM4EGAAGLA
SCHEMBL20010444 0.72 KDM4E (0.42) CFTRALDH1A1KDM4EGAAGLA
SCHEMBL24377436 0.72 MAPT (0.36) CFTRALDH1A1KDM4EGAAGLA
SCHEMBL22140511 0.71 PDGFRB (0.37) CFTRALDH1A1KDM4EGAAGLA
SCHEMBL1116017 0.71 KDM4E (0.45) CFTRALDH1A1KDM4EGAAGLA

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-10227350-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2019-03-12 US disclosed
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 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 (2 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-10227350-B2 Phosphatidylinositol 3-kinase inhibitors PIK3CA, AKT3, AKT1 CFTR 4211/4885ALDH1A1 4716/4885KDM4E 2967/4885
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, AKT1 CFTR 4211/4885ALDH1A1 4716/4885KDM4E 2967/4885

“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.