SCHEMBL1683223

SCHEMBL1683223

CC(C)(C)c1ccc(OCCN)cc1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
TAAR1 Q96RJ0 1/20 0.41
LTA4H P09960 2/20 0.41
PLA2G2A P14555 1/20 0.41
KIF11 P52732 2/20 0.40
PDK2 Q15119 1/20 0.40
ESR1 P03372 2/20 0.37
CYP19A1 P11511 2/20 0.37
ESR2 Q92731 2/20 0.37
MAOB P27338 1/20 0.36
AOC3 Q16853 1/20 0.36
FGFR1 P11362 1/20 0.35
SLC7A5 Q01650 2/20 0.35
PDIA6 Q15084 1/20 0.35

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
SCHEMBL21718395 0.86 PDK2 (0.40) SMN1; SMN2LTA4HPDK2MAOB
SCHEMBL21718946 0.85 BRD4 (0.40) KIF11FGFR1
SCHEMBL22809630 0.84 SLC7A5 (0.48) SMN1; SMN2TAAR1LTA4HPLA2G2AKIF11
Hydrochloric Acid SCHEMBL20595234 0.83 SLC7A5 (0.47) SMN1; SMN2TAAR1LTA4HPLA2G2AKIF11
Hydrochloric Acid SCHEMBL30450550 0.83 SLC7A5 (0.47) SMN1; SMN2TAAR1LTA4HPLA2G2AKIF11
SCHEMBL18120375 0.82 NQO1 (0.46) LTA4HKIF11PDK2ESR2
SCHEMBL19532869 0.82 KIF11 (0.36) KIF11MAOBAOC3SLC7A5
SCHEMBL18294055 0.82 HTR1B (0.46) SMN1; SMN2PDK2
SCHEMBL16473860 0.81 PDK2 (0.41) KIF11PDK2MAOB
SCHEMBL11834693 0.81 KIF11 (0.35) KIF11MAOBAOC3SLC7A5

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-9822115-B2 Nitrogen containing compounds and their use as antibacterial agents WOCKHARDT LIMITED (IN) 2017-11-21 US disclosed
US-20160355516-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS WOCKHARDT LIMITED (IN) 2016-12-08 US disclosed
WO-2012045729-A1 IMIDAZO [1, 2 -A] PYRIDINE AND PYRAZOLO [1, 5 -A] PYRIDINE DERIVATIVES AS TRPV1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-12 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 (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-20160355516-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS NOS2, NOS1, NCF1 SMN1; SMN2 2575/4885TAAR1 2947/4885LTA4H 1513/4885

“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.