SCHEMBL2210181

SCHEMBL2210181

O=Cc1c(-c2ccccc2Br)ccc2c1OCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.43
AOC3 Q16853 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HSD17B10 Q99714 1/20 0.37
PTPRC P08575 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP1B1 Q16678 2/20 0.35
MAOB P27338 2/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL2211320 0.84 PKM (0.41) KMT2APKMTSHRALDH1A1TDP1
SCHEMBL2215277 0.83 KMT2A (0.37) KMT2AATMAOC3POLBPKM
SCHEMBL2215273 0.83 KMT2A (0.37) KMT2AATMAOC3POLBPKM
SCHEMBL2213950 0.82 ALDH1A1 (0.41) KMT2APKMTSHRALDH1A1TDP1
SCHEMBL2214736 0.82 NPC1 (0.39) KMT2APKMTSHRALDH1A1TDP1
SCHEMBL863397 0.79 AOC3 (0.51) KMT2AATMAOC3ALDH1A1TDP1
SCHEMBL20573133 0.77 TSHR (0.35) KMT2AATMAOC3POLBPKM
SCHEMBL20573134 0.77 TSHR (0.35) KMT2AATMAOC3POLBPKM
SCHEMBL1768501 0.74 AOC3 (0.44) KMT2AATMAOC3POLBPKM
SCHEMBL30300515 0.74 HPGD (0.38) KMT2AAOC3POLBTSHRALDH1A1

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
EP-2342179-B1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2015-05-27 EP disclosed
US-8536210-B2 Compounds for inhibiting semicarbazide-sensitive amine oxidase (SSAO)/vascular adhesion protein-1 (VAP-1) and uses thereof for treatment and prevention of diseases SEMMELWEIS EGYETEM (HU) 2013-09-17 US disclosed
US-20110263567-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2011-10-27 US disclosed
EP-2342179-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES Semmelweis Egyetem (HU) 2011-07-13 EP disclosed
WO-2010029379-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2010-03-18 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 (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-20110263567-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOX1, AOC3 KMT2A 4220/4885ATM 736/4885AOC3 3/4885

“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.