SCHEMBL12040660

SCHEMBL12040660

O=[N+]([O-])c1ccc(OC2CCNCC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.46
SLC6A3 Q01959 3/20 0.46
HTR1A P08908 2/20 0.46
HSPB1 P04792 3/20 0.44
CYP19A1 P11511 4/20 0.43
CYP2D6 P10635 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
PTGES O14684 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
PTGS1 P23219 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A4 P31645 1/20 0.42

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
Bromide SCHEMBL1724728 0.99 SLC6A2 (0.45) SLC6A2SLC6A3HTR1AHSPB1CYP19A1
Trifluoroacetic Acid SCHEMBL2253892 0.91 KDM1A (0.41) SLC6A2SLC6A3HTR1AHSPB1CYP19A1
SCHEMBL22042142 0.90 HSPB1 (0.49) SLC6A2SLC6A3HSPB1CYP19A1CYP2D6
SCHEMBL22069557 0.87 CYP19A1 (0.55) HSPB1CYP19A1CYP2D6ALDH1A1MEN1
SCHEMBL26128371 0.87 CYP19A1 (0.52) HSPB1CYP19A1CYP2D6ALDH1A1MEN1
SCHEMBL2587459 0.86 HSPB1 (0.46) SLC6A2SLC6A3HTR1AHSPB1ALDH1A1
SCHEMBL31203065 0.83 ALDH1A1 (0.47) SLC6A2SLC6A3HTR1ACYP19A1CYP2D6
SCHEMBL3973922 0.83 UTS2R (0.52) CYP19A1CYP2D6ALDH1A1MEN1PTGES
SCHEMBL12075923 0.83 UTS2R (0.51) SLC6A2SLC6A3CYP19A1CYP2D6ALDH1A1
SCHEMBL18066909 0.83 CYP19A1 (0.44) SLC6A2SLC6A3HTR1ACYP19A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019022223-A1 CYCLIC AMINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES 東レ株式会社 2019-01-31 WO disclosed
US-20110319392-A1 Thiazole Sulfonamide And Oxazole Sulfonamide Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-12-29 US disclosed
US-20110190280-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-08-04 US disclosed
WO-2009032667-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 WO 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-20110190280-A1 Thiazole And Oxazole Kinase Inhibitors PDXK, MAP3K1, MAP4K2 SLC6A2 4755/4885SLC6A3 4335/4885HTR1A 4314/4885
US-20110319392-A1 Thiazole Sulfonamide And Oxazole Sulfonamide Kinase Inhibitors STK24, MAP3K5, MAP3K2 SLC6A2 3909/4885SLC6A3 3010/4885HTR1A 4320/4885

“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.