SCHEMBL5717801

SCHEMBL5717801

Cc1ccn2c(=O)c(C(=O)O)cnc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
KDM4E B2RXH2 6/20 1.00
GAA P10253 4/20 1.00
PKM P14618 3/20 1.00
HPGD P15428 4/20 0.69
GLA P06280 2/20 0.69
MAPT P10636 2/20 0.63
THRB P10828 1/20 0.54
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
CHEK1 O14757 1/20 0.48
LIMK1 P53667 1/20 0.48
DYRK1A Q13627 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
TP53 P04637 3/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
POLB P06746 2/20 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
SCHEMBL5912239 0.87 ALDH1A1 (0.76) ALDH1A1KDM4EGAAPKMHPGD
SCHEMBL22271486 0.80 KDM4E (0.66) ALDH1A1KDM4EGAAPKMHPGD
SCHEMBL14740159 0.80 KDM4E (0.66) ALDH1A1KDM4EGAAPKMHPGD
SCHEMBL9129589 0.79 KDM4E (0.65) ALDH1A1KDM4EGAAPKMHPGD
SCHEMBL9384146 0.78 KDM4E (0.64) ALDH1A1KDM4EGAAPKMHPGD
SCHEMBL9130281 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGAAPKMHPGD
SCHEMBL199891 0.77 GAA (0.68) ALDH1A1KDM4EGAAPKMHPGD
SCHEMBL9129179 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EGAAPKMHPGD
SCHEMBL19533498 0.76 KDM4E (0.61) ALDH1A1KDM4EGAAPKMHPGD
SCHEMBL28903304 0.75 ALDH1A1 (0.59) ALDH1A1KDM4EGAAPKMHPGD

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-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-6818772-B2 DIETETICS, SLEEP DISORDERS, EATING DISORDERS, SEXUAL DISORDERS, CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS ABBOTT LABORATORIES 2004-11-16 US disclosed
US-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor ABBVIE INC. 2003-12-11 US disclosed
WO-2003070244-A1 ANTAGONIST OF MELANIN CONCENTRATING HORMONE AND THEIR USES ABBOTT LABORATORIES (US) 2003-08-28 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-5387588-A Antiulcer agents CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1995-02-07 US disclosed
EP-0326981-B1 4-Oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide derivatives, their preparation, medicaments containing them and their preparation CHINOIN GYOGYSZER ES VEGYESZET (HU) 1994-11-09 EP disclosed
US-5252572-A Antiulcer agent CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1993-10-12 US disclosed
US-5158951-A Pyridopyrimidine derivatives useful in treatment of ulcers CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYAR RT. (HU) 1992-10-27 US disclosed
EP-0326981-A2 4-Oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide derivatives, their preparation, medicaments containing them and their preparation CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1989-08-09 EP disclosed
US-4192944-A ANTIANAPHYLACTIC BRISTOL-MYERS COMPANY (US) 1980-03-11 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 (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-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor MCHR1, MCHR2, MC1R ALDH1A1 2373/4885KDM4E 2065/4885GAA 517/4885

“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.