SCHEMBL13063787

SCHEMBL13063787

O=Nc1nccn1CC1CO1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
HBB P68871 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BRD4 O60885 2/20 0.33
GRIN2B Q13224 1/20 0.32
DHFR P00374 1/20 0.32
FGFR1 P11362 1/20 0.32
MAPK14 Q16539 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30
ABCB11 O95342 1/20 0.30
ADRA2B P18089 1/20 0.30

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
SCHEMBL4846610 0.73 TP53 (0.37) TP53HBBSMN1; SMN2BRD4GRIN2B
SCHEMBL28113341 0.72 CYP1A2 (0.46) TP53HBBSMN1; SMN2BRD4GRIN2B
SCHEMBL8855488 0.71 KMT2A (0.47) TP53HBBSMN1; SMN2BRD4GRIN2B
SCHEMBL1614716 0.71 KMT2A (0.47) TP53HBBSMN1; SMN2BRD4GRIN2B
SCHEMBL23458283 0.71 FGFR1 (0.35) TP53HBBSMN1; SMN2BRD4GRIN2B
SCHEMBL8897393 0.71 KMT2A (0.47) TP53HBBSMN1; SMN2BRD4GRIN2B
SCHEMBL12231940 0.71
SCHEMBL22057392 0.71
SCHEMBL27474143 0.67 GRIN2B (0.45) BRD4GRIN2BMAPK14CYP1A2CYP3A4
SCHEMBL11060443 0.66 TP53 (0.60) TP53HBBSMN1; SMN2GRIN2BDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7847092-B2 Method for preparation of F-18 containing organofluoro compounds in alcohol solvents FUTURECHEM CO., LTD. (KR) 2010-12-07 US disclosed
US-20100113763-A1 METHOD FOR PREPARATION OF ORGANOFLUORO COMPOUNDS IN ALCOHOL SOLVENTS FUTURECHEM CO., LTD. (KR) 2010-05-06 US disclosed
US-20080171863-A1 Method for Preparing of Organofluoro Compounds in Alcohol Solvents FUTURECHEM CO., LTD. (KR) 2008-07-17 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-20080171863-A1 Method for Preparing of Organofluoro Compounds in Alcohol Solvents ADH5, ADH1C, ADH1A TP53 2076/4885HBB 2583/4885SMN1; SMN2 4202/4885
US-20100113763-A1 METHOD FOR PREPARATION OF ORGANOFLUORO COMPOUNDS IN ALCOHOL SOLVENTS AFF1, AFF4, PFAS TP53 2997/4885HBB 570/4885SMN1; SMN2 3759/4885

“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.