SCHEMBL3511969

SCHEMBL3511969

O=C(Nc1nnc(Br)s1)c1c(O)cc(-c2ccccc2)oc1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 6/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
MEN1 O00255 3/20 0.44
TP53 P04637 3/20 0.42
KDM4E B2RXH2 5/20 0.41
USP2 O75604 1/20 0.41
GFER P55789 1/20 0.41
HTT P42858 1/20 0.40
PTGES O14684 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 1/20 0.39
GLA P06280 1/20 0.38
DGAT1 O75907 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL3510451 0.81 L3MBTL1 (0.54) SMN1; SMN2POLBL3MBTL1KMT2AMEN1
SCHEMBL9202732 0.74 CA12 (0.51) SMN1; SMN2POLBKMT2ARAB9ANPC1
SCHEMBL3513442 0.73 SMN1; SMN2 (0.56) SMN1; SMN2POLBL3MBTL1KMT2ARAB9A
SCHEMBL4244247 0.73 SMN1; SMN2 (0.77) SMN1; SMN2POLBL3MBTL1KMT2ARAB9A
SCHEMBL7370116 0.70 SMN1; SMN2 (1.00) SMN1; SMN2POLBL3MBTL1KMT2ARAB9A
SCHEMBL4369997 0.70 SMN1; SMN2 (0.72) SMN1; SMN2POLBL3MBTL1KMT2ARAB9A
SCHEMBL5632532 0.70 SMN1; SMN2 (0.72) SMN1; SMN2POLBL3MBTL1KMT2AMEN1
SCHEMBL4237733 0.70 POLB (0.67) SMN1; SMN2POLBL3MBTL1KMT2ANPC1
SCHEMBL3515999 0.70 SMN1; SMN2 (0.43) SMN1; SMN2POLBL3MBTL1KMT2AMEN1
SCHEMBL3515996 0.70 SMN1; SMN2 (0.43) SMN1; SMN2POLBL3MBTL1KMT2AMEN1

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 17 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
WO-2009061847-A2 METHODS FOR DIAGNOSING AND TREATING PELVIC PAIN DISORDERS VIA BETA-CATENIN UNIVERSITY OF ROCHESTER (US) 2009-05-14 WO 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 SMN1; SMN2 4517/4885POLB 1474/4885L3MBTL1 954/4885

“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.