SCHEMBL2545960

SCHEMBL2545960

C[C@H]1Oc2ccc(Br)cc2O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.50
PBRM1 Q86U86 1/20 0.44
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
CA2 P00918 2/20 0.36
AKR1B1 P15121 1/20 0.36
P2RY6 Q15077 1/20 0.35
BACE1 P56817 2/20 0.34
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
ADRA2A P08913 1/20 0.32
PNMT P11086 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL2209905 1.00 AHR (0.50) AHRPBRM1LMNAMAPTHTT
SCHEMBL2545956 1.00 AHR (0.50) AHRPBRM1LMNAMAPTHTT
SCHEMBL8145740 0.77 AHR (0.50) AHRPBRM1LMNAMAPTHTT
SCHEMBL6782580 0.77 AHR (0.45) AHRPBRM1LMNAMAPTHTT
SCHEMBL3531221 0.77 PBRM1 (0.57) AHRPBRM1CA2CA9CYP2C9
SCHEMBL90908 0.74 CREBBP (0.40) MAPTCA2AKR1B1CYP1A2
SCHEMBL1291711 0.74 AHR (0.42) AHRPBRM1LMNAMAPTHTT
SCHEMBL22633957 0.74 AHR (0.38) AHRPBRM1LMNAMAPTHTT
SCHEMBL1044542 0.74 PBRM1 (0.50) AHRPBRM1LMNAMAPTHTT
SCHEMBL16656033 0.74 PBRM1 (0.50) AHRPBRM1LMNAMAPTHTT

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
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-1367056-A1 Drugs that enhance synaptic responses mediated by AMPA receptors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-12-03 EP disclosed
EP-1156043-B1 Drugs that enhance synaptic responses mediated by ampa receptors UNIV CALIFORNIA (US) 2003-11-12 EP disclosed
US-20020099050-A1 Drugs that enhance synaptic responses mediated by AMPA receptors LYNCH GARY S (US) 2002-07-25 US disclosed
EP-0651746-B1 DRUGS THAT ENHANCE SYNAPTIC RESPONSES MEDIATED BY AMPA RECEPTORS UNIV CALIFORNIA (US) 2002-03-27 EP disclosed
EP-1156043-A2 Drugs that enhance synaptic responses mediated by ampa receptors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-11-21 EP disclosed
US-6274600-B1 COGNITION ACTIVATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-08-14 US disclosed
US-5891876-A ALPHA-AMINO-3-HYDROXY-5-METHYL-ISOXAZOLE-4-PROPIONIC ACID (AMPA); DRUGS THAT ENHANCE THESE RECEPTOR CURRENTS WILL FACILITATE COMMUNICATION IN BRAIN NETWORKS RESPONSIBLE FOR PERCEPTUAL-MOTOR INTEGRATION AND HIGHER ORDER BEHAVIORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-04-06 US disclosed
US-5852008-A Heteroatom substituted benzoyl derivatives that enhance synaptic response mediated by receptors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-12-22 US disclosed
US-5747492-A IMPROVING MEMORY; A-AMINO-3-HYDROXY-5-METHYL ISOOXAZOLE-4-PROPIONIC ACID THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-05-05 US disclosed
EP-0651746-A1 DRUGS THAT ENHANCE SYNAPTIC RESPONSES MEDIATED BY AMPA RECEPTORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-05-10 EP disclosed
WO-1994002475-A1 DRUGS THAT ENHANCE SYNAPTIC RESPONSES MEDIATED BY AMPA RECEPTORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-02-03 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 (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-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 AHR 2215/4885PBRM1 4582/4885LMNA 3134/4885
US-20020099050-A1 Drugs that enhance synaptic responses mediated by AMPA receptors GABRE, GRIN1, GRIN3A AHR 4598/4885PBRM1 3672/4885LMNA 4839/4885

“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.