SCHEMBL1274290

SCHEMBL1274290

COc1cc(C(=O)O)c2c(c1)C(=O)N(C)CC2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ POLB P06746 2/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PARK7 Q99497 1/20 0.35

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
SCHEMBL10296220 0.87 MEN1 (0.44) MEN1KMT2ARAB9ASMN1; SMN2POLB
SCHEMBL7184636 0.77 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL31438780 0.70 MEN1 (0.62) MEN1KMT2A
SCHEMBL1036238 0.70 MEN1 (0.62) MEN1KMT2A
SCHEMBL7681591 0.68 CXCR5 (0.48) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL2204112 0.67 MEN1 (0.62) MEN1KMT2AGRM5
SCHEMBL4273329 0.67 HSD17B10 (0.33) MEN1KMT2APOLBTDP1
SCHEMBL1006796 0.66 LRRK2 (0.39) GRM5ALDH1A1LMNA
SCHEMBL31355236 0.65 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2POLBALDH1A1CDC25B
SCHEMBL15440287 0.65 SMN1; SMN2 (0.52) MEN1KMT2ARAB9ASMN1; SMN2POLB

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
US-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES SALTER-CID LUISA M (US) 2012-07-05 — — US disclosed
EP-2283833-A2 Amines and amides for the treatment of diseases LA JOLLA PHARMACEUTICAL CO. (US) 2011-02-16 — — EP disclosed
US-20070078157-A1 Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO)enzyme activity and VAP-1 mediated adhesion useful for treatment of diseases LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-04-05 — — US disclosed
EP-1732531-A2 AMINES AND AMIDES FOR THE TREATMENT OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2006-12-20 — — EP disclosed
US-20060025438-A1 Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO) enzyne activity and VAP-1 mediated adhesion useful for treatment of diseases LA JOLLA PHARMACEUTICAL COMPANY 2006-02-02 — — US disclosed
WO-2005082343-A2 AMINES AND AMIDES FOR THE TREATMENT OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2005-09-09 — — WO 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 (3 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-20070078157-A1 Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO)enzyme activity and VAP-1 mediated adhesion useful for treatment of diseases VCAM1, AOC2, AOC1 MEN1 4135/4885KMT2A 2165/4885RAB9A 3617/4885
US-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES VCAM1, AOC2, AOC1 MEN1 4135/4885KMT2A 2165/4885RAB9A 3617/4885
US-20060025438-A1 Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO) enzyne activity and VAP-1 mediated adhesion useful for treatment of diseases VCAM1, AOC3, AOC2 MEN1 3720/4885KMT2A 2663/4885RAB9A 3854/4885

“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