SCHEMBL830681

SCHEMBL830681

CCOC(=O)C1NC1c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
ALDH1A1 P00352 7/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 3/20 0.48
PKM P14618 1/20 0.48
KDM4E B2RXH2 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ADORA3 P0DMS8 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL830682 1.00 TSHR (0.55) TSHRALDH1A1MAPK1SMN1; SMN2MEN1
SCHEMBL830680 1.00 TSHR (0.55) TSHRALDH1A1MAPK1SMN1; SMN2MEN1
SCHEMBL835776 1.00 TSHR (0.55) TSHRALDH1A1MAPK1SMN1; SMN2MEN1
SCHEMBL23342994 0.83 ALDH1A1 (0.52) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL23342379 0.83 ALDH1A1 (0.52) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL3384907 0.82 FABP7 (0.55) TSHRALDH1A1MAPK1KMT2A
SCHEMBL3386517 0.82 FABP7 (0.55) TSHRALDH1A1MAPK1KMT2A
SCHEMBL6739703 0.81 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2CYP2D6GAA
SCHEMBL6736590 0.81 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2CYP2D6GAA
SCHEMBL23566666 0.77 GAA (0.44) TSHRALDH1A1MAPK1SMN1; SMN2MEN1

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
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
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-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
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 (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-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION QDPR, VIP, AAAS TSHR 3191/4885ALDH1A1 36/4885MAPK1 3118/4885
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE TSHR 2283/4885ALDH1A1 2185/4885MAPK1 1578/4885

“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.