SCHEMBL1495972

SCHEMBL1495972

CCOC(=O)C1=C(O)c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
KCNN4 O15554 1/20 0.46
KCNA3 P22001 1/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
MAPT P10636 4/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL1495920 0.89 MAPT (0.50) KMT2AMEN1KCNN4KCNA3LMNA
SCHEMBL13273471 0.85 KCNN4 (0.51) KMT2AMEN1KCNN4KCNA3MAPT
SCHEMBL17678694 0.80 KDM4E (0.58) KMT2AMEN1LMNATSHRKDM4E
SCHEMBL19150534 0.79 KMT2A (0.42) KMT2AMEN1KCNN4KCNA3LMNA
SCHEMBL7714538 0.78 KMT2A (0.48) KMT2AMEN1KCNN4KCNA3LMNA
SCHEMBL19150712 0.78 ALDH1A1 (0.47) KMT2AMEN1LMNATSHRMAPT
SCHEMBL31058571 0.77 KCNN4 (0.51) KMT2AMEN1KCNN4KCNA3MAPT
SCHEMBL25562472 0.77 KCNN4 (0.51) KMT2AMEN1KCNN4KCNA3MAPT
SCHEMBL6600485 0.75 KMT2A (0.49) KMT2AMEN1KCNN4KCNA3LMNA
SCHEMBL6600482 0.75 KMT2A (0.49) KMT2AMEN1KCNN4KCNA3LMNA

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
US-8273754-B2 Substituted 1H-pyrazolo[3,4-D]pyrimidine-6-amine compounds ARQULE, INC. (US) 2012-09-25 US disclosed
US-8273754-B2 Substituted 1H-pyrazolo[3,4-D]pyrimidine-6-amine compounds ARQULE, INC. (US) 2012-09-25 US disclosed
US-8273754-B2 Substituted 1H-pyrazolo[3,4-D]pyrimidine-6-amine compounds ARQULE, INC. (US) 2012-09-25 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
EP-2256119-B1 Vasopressin V1a antagonists VANTIA LTD (GB) 2012-05-09 EP disclosed
EP-2256119-B1 Vasopressin V1a antagonists VANTIA LTD (GB) 2012-05-09 EP disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
EP-1781661-A2 VASOPRESSIN V1A ANTAGONISTS Ferring B.V. (NL) 2007-05-09 EP disclosed
EP-1632494-A1 Vasopressin v1a antagonists FERRING B.V. (NL) 2006-03-08 EP disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO disclosed
US-5849735-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-15 US disclosed
EP-0804420-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-11-05 EP disclosed
WO-1996022282-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 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-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS AVPR1A, AVPR2, AVPR1B KMT2A 2204/4885MEN1 977/4885KCNN4 511/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B KMT2A 2204/4885MEN1 977/4885KCNN4 511/4885

“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.