SCHEMBL3326658

SCHEMBL3326658

O=C(Cl)c1ccc(-c2cccc(C(F)(F)F)c2)o1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.66
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
KMT2A Q03164 3/20 0.55
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 1/20 0.54
MEN1 O00255 2/20 0.52
CHRNA7 P36544 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49

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
SCHEMBL1222870 0.87 SLC9A1 (0.67) SLC9A1CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL11806267 0.85 CYP1A2 (0.68) SLC9A1CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL5842720 0.85 SLC9A1 (0.74) SLC9A1CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL1199181 0.83 CYP1A2 (0.77) SLC9A1CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL13044117 0.82 CYP1A2 (0.71) SLC9A1CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL9877550 0.82 CYP1A2 (0.71) SLC9A1CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL29353751 0.80 NR4A1 (0.74) SLC9A1GAANR4A1NR4A2NR4A3
SCHEMBL28202474 0.80 NR4A1 (0.74) SLC9A1GAANR4A1NR4A2NR4A3
SCHEMBL19657014 0.79 SLC9A1 (0.66) SLC9A1CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL3059961 0.78 SLC9A1 (0.65) SLC9A1CYP1A2CYP2C19KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024196978-A2 SULFONIUM COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2024-09-26 WO disclosed
US-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2010-05-27 US disclosed
US-7678788-B2 Diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2010-03-16 US disclosed
EP-1599476-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH AS (DK) 2009-10-14 EP disclosed
US-20060148789-A1 Novel diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2006-07-06 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-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES CHRNA6, CHRNA10, CHRNA2 SLC9A1 3488/4885CYP1A2 1095/4885CYP2C19 1815/4885
US-20060148789-A1 Novel diazabicyclic aryl derivatives CHRNA6, CHRNA10, CHRNA2 SLC9A1 3488/4885CYP1A2 1095/4885CYP2C19 1815/4885

“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.