SCHEMBL5574408

SCHEMBL5574408

c1ccc2c(c1)[nH]c1cc(Cc3c[nH]cn3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.53
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
AHR P35869 1/20 0.43
GABRP O00591 3/20 0.41
GABRD O14764 3/20 0.41
GABRA1 P14867 3/20 0.41
GABRB1 P18505 3/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA2 P47869 3/20 0.41
GABRB2 P47870 3/20 0.41
GABRA4 P48169 3/20 0.41
GABRE P78334 3/20 0.41
GABRA6 Q16445 3/20 0.41
GABRG1 Q8N1C3 3/20 0.41
GABRG3 Q99928 3/20 0.41
GABRQ Q9UN88 3/20 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
Hydrochloric Acid SCHEMBL8539508 0.99 KIF11 (0.51) KIF11ALDH1A1KDM4EAHRGABRP
Hydrochloric Acid SCHEMBL6049789 0.97 KIF11 (0.50) KIF11ALDH1A1KDM4EAHRGABRP
SCHEMBL8540782 0.91 ALDH1A1 (0.44) KIF11ALDH1A1AHRGABRPGABRD
SCHEMBL8542457 0.87 KIF11 (0.51) KIF11ALDH1A1KDM4EAHRGABRP
SCHEMBL26658373 0.75 KIF11 (0.66) KIF11ALDH1A1KDM4EAHRGABRP
SCHEMBL2103758 0.74 BACE1 (0.47)
SCHEMBL649075 0.72 ALDH1A1 (0.46) ALDH1A1
SCHEMBL8545006 0.72 KDM1A (0.42) ALDH1A1KDM4EHSD17B10
SCHEMBL29406954 0.71 HRH3 (0.55) KIF11ALDH1A1KDM4E
SCHEMBL2102562 0.70 HRH3 (0.51) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820989-A1 IMIDAZOLE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1998-01-28 EP claimed
US-11478471-B2 Methods and compositions for treating diabetes, metabolic syndrome and other conditions STRONGBRIDGE DUBLIN LIMITED (IE) 2022-10-25 US disclosed
US-10835530-B2 Methods and compositions for treating diabetes, metabolic syndrome and other conditions STRONGBRIDGE DUBLIN LIMITED (IE) 2020-11-17 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
EP-2702052-A1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2014-03-05 EP disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
WO-2012149413-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-11-01 WO disclosed
EP-1853266-A1 METHODS AND COMPOSITIONS FOR TREATING DIABETES, METABOLIC SYNDROME AND OTHER CONDITIONS Cortendo Invest AB (SE) 2007-11-14 EP disclosed
WO-2006072881-A1 METHODS AND COMPOSITIONS FOR TREATING DIABETES, METABOLIC SYNDROME AND OTHER CONDITIONS CORTENDO INVEST AB (SE) 2006-07-13 WO disclosed
CN-1371286-A Use of cyclooxygenase-2 inhibitor matrix metallappoteinase inhibitor antineoplastic agent and optionally radiation as combination treatment of neoplasia SEARLE & CO (US) 2002-09-25 CN disclosed
CN-1346282-A Use of a cyclooxygenase-2 inhibitor and one or more antineoplastic agents as combination therapy method in treating neoplasia SEARLE & CO (US) 2002-04-24 CN disclosed
EP-0820989-A1 IMIDAZOLE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1998-01-28 EP 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 (3 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-10835530-B2 Methods and compositions for treating diabetes, metabolic syndrome and other conditions CYP11B2, HSD3B2, HSD3B1 KIF11 857/4885ALDH1A1 1953/4885KDM4E 1553/4885
US-11478471-B2 Methods and compositions for treating diabetes, metabolic syndrome and other conditions CYP11B2, HSD3B2, HSD3B1 KIF11 1041/4885ALDH1A1 1935/4885KDM4E 1632/4885
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 KIF11 3586/4885ALDH1A1 68/4885KDM4E 530/4885

“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.