SCHEMBL830732

SCHEMBL830732

OC[C@@H]1N[C@H]1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.50
▸ CHRNA7 P36544 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SLC18A3 Q16572 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ GBA1 P04062 1/20 0.41
▸ MAN2A1 Q16706 1/20 0.38
▸ MAN1B1 Q9UKM7 1/20 0.38
▸ TRPM5 Q9NZQ8 2/20 0.37

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
SCHEMBL13966475 1.00 MGAM (0.50) MGAMCHRNA7SMN1; SMN2LMNAGAA
SCHEMBL830730 1.00 MGAM (0.50) MGAMCHRNA7SMN1; SMN2LMNAGAA
SCHEMBL835907 1.00 MGAM (0.50) MGAMCHRNA7SMN1; SMN2LMNAGAA
SCHEMBL830731 1.00 MGAM (0.50) MGAMCHRNA7SMN1; SMN2LMNAGAA
SCHEMBL13538449 0.83 MGAM (0.73) MGAMGAAGBA1MAN2A1MAN1B1
SCHEMBL17622803 0.83 MGAM (0.73) MGAMGAAGBA1MAN2A1MAN1B1
SCHEMBL19258270 0.83 MGAM (0.73) MGAMGAAGBA1MAN2A1MAN1B1
SCHEMBL9789772 0.81 MGAM (0.71) MGAMGAAGBA1MAN2A1MAN1B1
SCHEMBL29299975 0.81 MEN1 (0.57) MGAMCHRNA7SMN1; SMN2LMNAGAA
SCHEMBL29299973 0.81 MEN1 (0.57) MGAMCHRNA7SMN1; SMN2LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143375-B2 Aziridine aldehydes, aziridine-conjugated amino derivatives, aziridine-conjugated biomolecules and processes for their preparation THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-03-27 — — US disclosed
US-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION ZEALAND PHARMA A/S (DK) 2010-12-16 — — 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-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION QDPR, VIP, AAAS MGAM 3893/4885CHRNA7 3151/4885SMN1; SMN2 3478/4885

“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.

Send feedback