SCHEMBL3423541

SCHEMBL3423541

O=[N+]([O-])c1ccccc1S(=O)(=O)N1C2CC3CC(C2)CC1C3

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.62
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
POLB P06746 2/20 0.58
KMT2A Q03164 6/20 0.53
MEN1 O00255 4/20 0.53
PKM P14618 1/20 0.52
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MCOLN3 Q8TDD5 1/20 0.49
AKR1C3 P42330 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL31390611 0.84 ACHE (0.72) ACHEALDH1A1LMNAPOLBKMT2A
SCHEMBL3311099 0.80 ACHE (0.72) ACHEALDH1A1LMNAPOLBKMT2A
SCHEMBL3310179 0.80 ACHE (0.76) ACHEALDH1A1LMNAPOLBKMT2A
SCHEMBL31390608 0.79 ALDH1A1 (0.52) ACHEALDH1A1LMNAPOLBKMT2A
SCHEMBL31390603 0.78 ALDH1A1 (0.51) ACHEALDH1A1LMNAPOLBKMT2A
SCHEMBL16237179 0.76 ACHE (0.55) ACHEALDH1A1LMNAPOLBKMT2A
SCHEMBL2360974 0.76 ALDH1A1 (0.84) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL18794812 0.75 ALDH1A1 (0.69) ACHEALDH1A1LMNAPOLBKMT2A
SCHEMBL4070583 0.73 ALDH1A1 (0.69) ACHEALDH1A1LMNAPOLBKMT2A
SCHEMBL5347059 0.73 ALDH1A1 (0.97) ACHEALDH1A1LMNAPOLBKMT2A

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
EP-2221306-B1 METHOD FOR PRODUCING 2-AZAADAMANTANE NISSAN CHEMICAL IND LTD (JP) 2016-04-13 EP disclosed
US-8669367-B2 Method for producing 2-azaadamantane NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-11 US disclosed
US-20120310005-A1 METHOD FOR PRODUCING 2-AZAADAMANTANE TOHOKU TECHNO ARCH CO., LTD. (JP) 2012-12-06 US disclosed
US-8273889-B2 Method for producing 2-azaadamantane NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-09-25 US disclosed
US-20100311977-A1 METHOD FOR PRODUCING 2-AZAADAMANTANE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-09 US disclosed
EP-2221306-A1 METHOD FOR PRODUCING 2-AZAADAMANTANE Nissan Chemical Industries, Ltd. (JP) 2010-08-25 EP 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-20100311977-A1 METHOD FOR PRODUCING 2-AZAADAMANTANE CYP21A2, CYP51A1, CYP19A1 ACHE 2246/4885ALDH1A1 328/4885LMNA 3604/4885
US-20120310005-A1 METHOD FOR PRODUCING 2-AZAADAMANTANE CYP21A2, CYP51A1, CYP19A1 ACHE 2246/4885ALDH1A1 328/4885LMNA 3604/4885

“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.