SCHEMBL4445364

SCHEMBL4445364

CCCNCCc1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
HPGD P15428 2/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KCNH2 Q12809 4/20 0.51
GRIN1 Q05586 3/20 0.51
GRIN2B Q13224 3/20 0.51
ADRB2 P07550 2/20 0.50
ADRB1 P08588 2/20 0.50
ADRB3 P13945 1/20 0.50
ATM Q13315 2/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2C9 P11712 1/20 0.46
CACNA1F O60840 1/20 0.46
CHRM2 P08172 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL9386639 0.88 KDM4E (0.59) KDM4EHPGDALDH1A1LMNAHTT
SCHEMBL9079033 0.85 KDM4E (0.56) KDM4EHPGDALDH1A1LMNAHTT
SCHEMBL8310231 0.84 HPGD (0.68) KDM4EHPGDALDH1A1LMNAHTT
SCHEMBL3336139 0.81 KDM4E (0.73) KDM4EHPGDALDH1A1LMNAHTT
SCHEMBL6581763 0.81 KDM4E (0.69) KDM4EHPGDALDH1A1LMNAHTT
N-Desmethyldofetilide SCHEMBL7853191 0.80 KCNH2 (0.64) KDM4EHPGDALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL9445091 0.78 GAA (0.62) KDM4EHPGDALDH1A1LMNAHTT
SCHEMBL7208101 0.78 PRMT1 (0.62) ALDH1A1HTTADRB2ADRB1ADRB3
SCHEMBL7208126 0.78 ADRB2 (0.54) ALDH1A1HTTSMN1; SMN2ADRB2ADRB1
SCHEMBL16976564 0.78 KDM4E (0.65) KDM4EHPGDALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1531811-A2 DERIVATIVES OF 3-HYDROXY-4-(CYCLYL-ALKYLAMINOALKYL)-5-PHENYL-1H-PYRAZOLE AS ANTAGONISTS OF THE GONADOTROPIN RELEASING HORMONE (GNRH) FOR USE IN THE TREATMENT OF SEX HORMONE RELATED CONDITIONS, SUCH AS PROSTATIC OF UTERINE CANCER AstraZeneca AB (SE) 2005-05-25 EP claimed
WO-2004017961-A2 DERIVATIVES OF 3-HYDROXY-4-(CYCLYL-ALKYLAMINOALKYL)-5-PHENYL-1H-PYRAZOLE AS ANTAGONISTS OF THE GONADOTROPIN RELEASING HORMONE (GNRH) FOR USE IN THE TREATMENT OF SEX HORMONE RELATED CONDITIONS, SUCH AS PROSTATIC OF UTERINE CANCER ASTRAZENECA AB (SE) 2004-03-04 WO claimed
WO-2015153762-A1 SOTALOL COMPOSITIONS AND USES OF THE SAME ARBOR PHARMACEUTICALS, LLC (US) 2015-10-08 WO disclosed
US-7514570-B2 Derivatives of 3-hydroxy-4-(cyclyl-alkylaminoalkyl)-5-phenyl-1h-pyrazole as antagonists of the gonadotropin releasing hormone (GnRH) for use in the treatment of sex hormone related conditions, such as prostatic of uterine cancer ASTRAZENECA AB (SE) 2009-04-07 US disclosed
EP-1531811-B1 DERIVATIVES OF 3-HYDROXY-4-(CYCLYL-ALKYLAMINOALKYL)-5-PHENYL-1H-PYRAZOLE AS ANTAGONISTS OF THE GONADOTROPIN RELEASING HORMONE (GNRH) FOR USE IN THE TREATMENT OF SEX HORMONE RELATED CONDITIONS, SUCH AS PROSTATIC OF UTERINE CANCER ASTRAZENECA AB (SE) 2008-10-29 EP disclosed
US-20060287379-A1 Derivatives of 3-hydroxy-4-(cyclyl-alkylaminoalkyl)-5-phenyl-1h-pyrazole as antagonists of the gonadotropin releasing hormone (gnrh) for use in the treatment of sex hormone related conditions, such as prostatic of uterine cancer ASTRAZENECA AB (SE) 2006-12-21 US disclosed
EP-1531811-A2 DERIVATIVES OF 3-HYDROXY-4-(CYCLYL-ALKYLAMINOALKYL)-5-PHENYL-1H-PYRAZOLE AS ANTAGONISTS OF THE GONADOTROPIN RELEASING HORMONE (GNRH) FOR USE IN THE TREATMENT OF SEX HORMONE RELATED CONDITIONS, SUCH AS PROSTATIC OF UTERINE CANCER AstraZeneca AB (SE) 2005-05-25 EP disclosed
WO-2004017961-A2 DERIVATIVES OF 3-HYDROXY-4-(CYCLYL-ALKYLAMINOALKYL)-5-PHENYL-1H-PYRAZOLE AS ANTAGONISTS OF THE GONADOTROPIN RELEASING HORMONE (GNRH) FOR USE IN THE TREATMENT OF SEX HORMONE RELATED CONDITIONS, SUCH AS PROSTATIC OF UTERINE CANCER ASTRAZENECA AB (SE) 2004-03-04 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-20060287379-A1 Derivatives of 3-hydroxy-4-(cyclyl-alkylaminoalkyl)-5-phenyl-1h-pyrazole as antagonists of the gonadotropin releasing hormone (gnrh) for use in the treatment of sex hormone related conditions, such as prostatic of uterine cancer GNRHR, LHCGR, GHRHR KDM4E 963/4885HPGD 334/4885ALDH1A1 1562/4885

“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.