SCHEMBL3759433

SCHEMBL3759433

CC(NS(=O)(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.73
POLB P06746 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.56
CA12 O43570 1/20 0.55
MMP2 P08253 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CNR1 P21554 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CA2 P00918 1/20 0.51
AOC3 Q16853 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.51
NAMPT P43490 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50

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
SCHEMBL28426090 1.00 ALDH1A1 (0.73) ALDH1A1POLBSMN1; SMN2CA12MMP2
Hydrochloric Acid SCHEMBL8123779 0.98 ALDH1A1 (0.71) ALDH1A1POLBSMN1; SMN2CA12MMP2
SCHEMBL14619788 0.89 ALDH1A1 (0.69) ALDH1A1POLBCA12MMP2CA9
SCHEMBL20021998 0.89 ALDH1A1 (0.69) ALDH1A1POLBCA12MMP2CA9
SCHEMBL28868017 0.89 ALDH1A1 (0.60) ALDH1A1POLBSMN1; SMN2CA12MMP2
SCHEMBL28427228 0.89 ALDH1A1 (0.60) ALDH1A1POLBSMN1; SMN2CA12MMP2
SCHEMBL28423968 0.89 ALDH1A1 (0.69) ALDH1A1POLBCA12MMP2CA9
SCHEMBL29222859 0.89 ALDH1A1 (0.60) ALDH1A1POLBSMN1; SMN2CA12MMP2
SCHEMBL17923479 0.88 ALDH1A1 (0.59) ALDH1A1POLBSMN1; SMN2CA12MMP2
SCHEMBL11177625 0.88 ALDH1A1 (0.59) ALDH1A1POLBSMN1; SMN2CA12MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024164666-A1 METHOD FOR PREPARING BENZYLAMINE DERIVATIVE BY VISIBLE LIGHT-PROMOTED NICKEL-CATALYZED AMINATION OF BENZYL C-H BONDS 上海沃凯生物技术有限公司 2024-08-15 WO disclosed
CN-116063209-B Method for preparing benzylamine derivative by catalyzing amination of benzyl C-H bond through nickel under promotion of visible light 上海沃凯生物技术有限公司 2024-04-09 CN disclosed
CN-116063209-A Method for preparing benzylamine derivative by catalyzing amination of benzyl C-H bond through nickel under promotion of visible light 上海沃凯生物技术有限公司 2023-05-05 CN disclosed
CN-108976178-A A kind of preparation method of chiral sulfonamide class organic compound 云南民族大学 2018-12-11 CN disclosed
US-8426587-B2 Haloallylamine inhibitors of SSAO/VAP-1 and uses therefor PHARMAXIS LTD. (AU) 2013-04-23 US disclosed
US-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (AU) 2010-11-25 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 (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-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR VAPA, SLC6A11, VAPB ALDH1A1 118/4885POLB 1598/4885SMN1; SMN2 1608/4885

“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.