SCHEMBL7271109

SCHEMBL7271109

O=C1Nc2ccccc2C(=O)N2C[C@H](O)C[C@@H]12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
CRBN Q96SW2 4/20 0.40
GFER P55789 1/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
DDB1 Q16531 2/20 0.39
CHRM2 P08172 1/20 0.39
OPRM1 P35372 1/20 0.39
IKZF3 Q9UKT9 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IDO1 P14902 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL7968240 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL7968441 0.82 KDM4E (0.56) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL7981338 0.82 KDM4E (0.56) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL7980412 0.82 KDM4E (0.56) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL12714533 0.79 CRBN (0.44) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL7265416 0.79 CES1 (0.40) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL12715398 0.79 CRBN (0.43) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL29778202 0.78 PDE3B (0.44) ALDH1A1KDM4EMAPTHPGDL3MBTL1
SCHEMBL10974938 0.76 ALDH1A1 (0.55) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL10974936 0.76 ALDH1A1 (0.55) MEN1KMT2AALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064643-A1 Myd88 Homodimerization Inhibitors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-03-13 US disclosed
US-20080064643-A1 Myd88 Homodimerization Inhibitors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-03-13 US disclosed
US-6225306-B1 PYRROLO(1,2A)QUINOXALINES WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 2001-05-01 US disclosed
US-4363762-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-12-14 US disclosed
US-4359420-A HYPOTENSIVE AGENT, MUSCLE RELAXANTS HOFFMANN-LA ROCHE INC. (US) 1982-11-16 US disclosed
US-4346034-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346032-A ANTIDOTES TO OVERDOSES OF BENZODIAZEPINE TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346030-A ANTIDOTES FOR OVERDOSES OF BENZODIAZEPINE TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346036-A ALKYLATION; AMIDATION; TRANQUILIZER ANTAGONIST HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346031-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346035-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346033-A Thienodiazepinone and benzodiazepinone intermediates HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4316839-A Imidazodiazepine derivatives HOFFMAN-LA ROCHE INC. (US) 1982-02-23 US disclosed
EP-0027214-A1 Imidazodiazepine derivatives, process and intermediates for their preparation, medicaments containing them and their therapeutic application F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-04-22 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 (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-20080064643-A1 Myd88 Homodimerization Inhibitors MYD88, TLR4, TLR6 MEN1 3735/4885KMT2A 3707/4885ALDH1A1 4229/4885

“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.