SCHEMBL2614720

SCHEMBL2614720

Nc1ccccc1Sc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
APOBEC3G Q9HC16 1/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HTR1A P08908 1/20 0.45
HTR3A P46098 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDE7A Q13946 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAP2K2 P36507 1/20 0.41

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
SCHEMBL30567099 1.00 DHFR (0.49) DHFRMEN1KMT2AMAPTNPSR1
Hydrochloric Acid SCHEMBL3861907 0.98 DHFR (0.47) DHFRMEN1KMT2AMAPTNPSR1
SCHEMBL30548760 0.84 HTR1A (0.51) DHFRMEN1KMT2AMAPTNPSR1
SCHEMBL3095695 0.83 CYP3A4 (0.56) DHFRMEN1KMT2AMAPTNPSR1
SCHEMBL11546 0.82 MAPT (0.56) DHFRMEN1KMT2AMAPTNPSR1
SCHEMBL29613097 0.82 MAPT (0.56) DHFRMEN1KMT2AMAPTNPSR1
Hydrochloric Acid SCHEMBL5211034 0.80 MAPT (0.54) DHFRMEN1KMT2AMAPTNPSR1
SCHEMBL546833 0.79 DHFR (0.49) DHFRMEN1KMT2AMAPTNPSR1
SCHEMBL1713296 0.79 CYP1A2 (0.53) DHFRMEN1KMT2AMAPTNPSR1
SCHEMBL31016398 0.79 CYP1A2 (0.53) DHFRMEN1KMT2AMAPTNPSR1

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
CN-102131791-B Dibenzothiepiazane derivatives and their use ASTRAZENECA SWEDEN AB 2014-12-24 CN claimed
CN-102131791-B Dibenzothiepiazane derivatives and their use ASTRAZENECA SWEDEN AB 2014-12-24 CN disclosed
US-8653257-B2 Dibenzothiazepine derivatives and uses thereof—424 ASTRAZENECA AB (SE) 2014-02-18 US disclosed
US-8653257-B2 Dibenzothiazepine derivatives and uses thereof—424 ASTRAZENECA AB (SE) 2014-02-18 US disclosed
EP-2307389-B1 DIBENZOTHIAZEPINE DERIVATIVE AND USE THEREOF ASTRAZENECA AB (SE) 2013-01-23 EP disclosed
US-20120202991-A1 DIBENZOTHIAZEPINE DERIVATIVES AND USES THEREOF - 424 ASTRAZENECA AB (SE) 2012-08-09 US disclosed
US-20120202991-A1 DIBENZOTHIAZEPINE DERIVATIVES AND USES THEREOF - 424 ASTRAZENECA AB (SE) 2012-08-09 US disclosed
US-8158618-B2 Dibenzothiazepine derivatives and uses thereof—424 ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-8158618-B2 Dibenzothiazepine derivatives and uses thereof—424 ASTRAZENECA AB (SE) 2012-04-17 US disclosed
CN-102131791-A Dibenzothiepiazane derivatives and their use ASTRAZENECA AB 2011-07-20 CN disclosed
US-20110160184-A1 Dibenzothiazepine Derivatives and Use Thereof ASTRAZENECA AB (SE) 2011-06-30 US disclosed
US-20110160184-A1 Dibenzothiazepine Derivatives and Use Thereof ASTRAZENECA AB (SE) 2011-06-30 US disclosed
US-20090318415-A1 DIBENZOTHIAZEPINE DERIVATIVES AND USES THEREOF - 424 ASTRAZENECA AB (SE) 2009-12-24 US disclosed
US-20090318415-A1 DIBENZOTHIAZEPINE DERIVATIVES AND USES THEREOF - 424 ASTRAZENECA AB (SE) 2009-12-24 US disclosed
WO-2009154563-A1 DIBENZOTHIAZEPINE DERIVATIVES AND USE THEREOF ASTRAZENECA AB (SE) 2009-12-23 WO disclosed
US-7592454-B2 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-20050239768-A1 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2005-10-27 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 (4 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-20090318415-A1 DIBENZOTHIAZEPINE DERIVATIVES AND USES THEREOF - 424 DRD4, DRD2, GABBR1 DHFR 1541/4885MEN1 2691/4885KMT2A 743/4885
US-20110160184-A1 Dibenzothiazepine Derivatives and Use Thereof DRD2, DRD4, GABBR1 DHFR 1426/4885MEN1 2365/4885KMT2A 814/4885
US-20050239768-A1 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists HTR1A, HTR7, HTR1D DHFR 451/4885MEN1 1784/4885KMT2A 3004/4885
US-20120202991-A1 DIBENZOTHIAZEPINE DERIVATIVES AND USES THEREOF - 424 DRD4, DRD2, GABBR1 DHFR 1541/4885MEN1 2691/4885KMT2A 743/4885

“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.