SCHEMBL344259

SCHEMBL344259

CCOC(=O)c1cccnc1NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.66
HTT P42858 4/20 0.56
GAA P10253 2/20 0.56
KDM4E B2RXH2 2/20 0.56
NPC1 O15118 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
KMT2A Q03164 3/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HPGD P15428 2/20 0.53
TP53 P04637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 1/20 0.53
THRB P10828 1/20 0.52
EGFR P00533 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL20598033 0.89 FFAR4 (0.61) LMNAHTTGAAKDM4ENPC1
SCHEMBL28282858 0.82 SMN1; SMN2 (0.63) LMNAHTTGAAKDM4ENPC1
SCHEMBL28000002 0.77 HTT (0.67) HTTKDM4ENPC1TSHRALDH1A1
SCHEMBL1179791 0.76 HTT (0.65) HTTKDM4ENPC1TSHRALDH1A1
SCHEMBL28137220 0.76 HTT (0.65) HTTKDM4ENPC1KMT2ATSHR
SCHEMBL16235273 0.76 TSHR (0.74) LMNAHTTGAAKDM4ENPC1
SCHEMBL12306892 0.75 ALDH1A1 (0.87) LMNAHTTKDM4ETDP1KMT2A
SCHEMBL8067186 0.75 SLC7A11 (0.77) LMNAHTTGAAKDM4ENPC1
SCHEMBL30772996 0.75 HTT (0.71) LMNAHTTKDM4ENPC1TSHR
SCHEMBL9502644 0.75 HTT (0.71) HTTKDM4ENPC1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293892-B2 Substituted tetrahydropyrazolo-pyrido-azepine compounds ARQULE, INC. (US) 2012-10-23 US disclosed
US-8293892-B2 Substituted tetrahydropyrazolo-pyrido-azepine compounds ARQULE, INC. (US) 2012-10-23 US disclosed
US-8293892-B2 Substituted tetrahydropyrazolo-pyrido-azepine compounds ARQULE, INC. (US) 2012-10-23 US disclosed
EP-2414358-A1 SUBSTITUTED TETRAHYDROPYRAZOLO-PYRIDO-AZEPIN COMPOUNDS ArQule, Inc. (US) 2012-02-08 EP disclosed
US-20120015935-A1 Substituted Tetrahydropyrazolo-Pyrido-Azepine Compounds ARQULE, INC. (US) 2012-01-19 US disclosed
US-20120015935-A1 Substituted Tetrahydropyrazolo-Pyrido-Azepine Compounds ARQULE, INC. (US) 2012-01-19 US disclosed
US-20120015935-A1 Substituted Tetrahydropyrazolo-Pyrido-Azepine Compounds ARQULE, INC. (US) 2012-01-19 US disclosed
US-8049005-B2 Substituted tetrahydropyrazolo-pyrido-azepine compounds ARQULE, INC. (US) 2011-11-01 US disclosed
US-8049005-B2 Substituted tetrahydropyrazolo-pyrido-azepine compounds ARQULE, INC. (US) 2011-11-01 US disclosed
US-8049005-B2 Substituted tetrahydropyrazolo-pyrido-azepine compounds ARQULE, INC. (US) 2011-11-01 US disclosed
WO-2010114902-A1 SUBSTITUTED TETRAHYDROPYRAZOLO-PYRIDO-AZEPIN COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO disclosed
US-20100249109-A1 SUBSTITUTED TETRAHYDROPYRAZOLO-PYRIDO-AZEPINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249109-A1 SUBSTITUTED TETRAHYDROPYRAZOLO-PYRIDO-AZEPINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249109-A1 SUBSTITUTED TETRAHYDROPYRAZOLO-PYRIDO-AZEPINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
EP-0804440-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2007-12-19 EP disclosed
US-5719278-A TREATING EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1998-02-17 US disclosed
EP-0804440-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-11-05 EP disclosed
WO-1996022295-A9 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS 1996-11-14 WO disclosed
WO-1996022295-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
US-5532235-A TO TREAT EXCESS RENAL REABSORPTION AMERICAN CYANAMID COMPANY (US) 1996-07-02 US 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-20100249109-A1 SUBSTITUTED TETRAHYDROPYRAZOLO-PYRIDO-AZEPINE COMPOUNDS MKI67, THPO, DPYD LMNA 3634/4885HTT 1630/4885GAA 2395/4885
US-20120015935-A1 Substituted Tetrahydropyrazolo-Pyrido-Azepine Compounds MKI67, THPO, DPYD LMNA 3634/4885HTT 1630/4885GAA 2395/4885

“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.