SCHEMBL3512817

SCHEMBL3512817

O=C(c1ccc(Br)o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.61
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
TSHR P16473 2/20 0.56
ALDH1A1 P00352 7/20 0.55
LMNA P02545 1/20 0.55
NPSR1 Q6W5P4 3/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CACNA1H O95180 1/20 0.51
CACNA2D1 P54289 1/20 0.51
CACNA1B Q00975 1/20 0.51
CACNB1 Q02641 1/20 0.51
CACNA1C Q13936 1/20 0.51
USP2 O75604 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL24496349 0.82 MAOB (0.58) MAOBKMT2AMEN1TSHRALDH1A1
SCHEMBL6035071 0.79 TSHR (0.59) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL2673282 0.79 TSHR (0.67) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL31350806 0.78 CYP3A4 (0.79) MAOBKMT2AMEN1TSHRALDH1A1
SCHEMBL17938746 0.76 ALDH1A1 (0.70) MAOBKMT2AMEN1ALDH1A1NPSR1
SCHEMBL31350986 0.76 MAOB (1.00) MAOBKMT2AMEN1ALDH1A1NPSR1
SCHEMBL3153541 0.76 TSHR (0.58) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL1771402 0.75 KMT2A (0.59) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL4280546 0.74 KMT2A (0.72) MAOBKMT2AMEN1TSHRALDH1A1
SCHEMBL27545187 0.74 KMT2A (0.74) MAOBKMT2AMEN1ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145547-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VASCULAR MALFORMATION IFOM Fondazione Istituto Firc di Oncologia Molecolare (IT) 2017-03-29 EP claimed
US-20170027896-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VASCULAR MALFORMATION IFOM - FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2017-02-02 US claimed
WO-2015155335-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VASCULAR MALFORMATION IFOM - FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2015-10-15 WO claimed
US-20100292170-A1 METHODS FOR DIAGNOSING AND TREATING PELVIC PAIN DISORDERS VIA BETA-CATENIN UNIVERSITY OF ROCHESTER (US) 2010-11-18 US claimed
WO-2009061847-A2 METHODS FOR DIAGNOSING AND TREATING PELVIC PAIN DISORDERS VIA BETA-CATENIN UNIVERSITY OF ROCHESTER (US) 2009-05-14 WO claimed
US-20040204477-A1 Interaction inhibitors of tcf-4 with beta-catenin PHARMACIA ITALIA S.P.A. (IT) 2004-10-14 US claimed
EP-1406889-A2 INTERACTION INHIBITORS OF TCF-4 WITH BETA-CATENIN Pharmacia Italia S.p.A. (IT) 2004-04-14 EP claimed
WO-2003006447-A2 INTERACTION INHIBITORS OF TCF-4 WITH BETA-CATENIN PHARMACIA ITALIA SPA (IT) 2003-01-23 WO claimed
EP-3145547-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VASCULAR MALFORMATION IFOM Fondazione Istituto Firc di Oncologia Molecolare (IT) 2017-03-29 EP disclosed
US-20170027896-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VASCULAR MALFORMATION IFOM - FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2017-02-02 US disclosed
WO-2015155335-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VASCULAR MALFORMATION IFOM - FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2015-10-15 WO disclosed
US-8415108-B2 Methods for diagnosing interstitial cystitis via nuclear localization of beta-catenin UNIVERSITY OF ROCHESTER (US) 2013-04-09 US disclosed
US-20100292170-A1 METHODS FOR DIAGNOSING AND TREATING PELVIC PAIN DISORDERS VIA BETA-CATENIN UNIVERSITY OF ROCHESTER (US) 2010-11-18 US disclosed
US-20040204477-A1 Interaction inhibitors of tcf-4 with beta-catenin PHARMACIA ITALIA S.P.A. (IT) 2004-10-14 US disclosed
EP-1406889-A2 INTERACTION INHIBITORS OF TCF-4 WITH BETA-CATENIN Pharmacia Italia S.p.A. (IT) 2004-04-14 EP disclosed
WO-2003006447-A2 INTERACTION INHIBITORS OF TCF-4 WITH BETA-CATENIN PHARMACIA ITALIA SPA (IT) 2003-01-23 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-20040204477-A1 Interaction inhibitors of tcf-4 with beta-catenin TCF4, TCF7, TCF7L2 MAOB 3240/4885KMT2A 3181/4885MEN1 3650/4885

“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.