SCHEMBL6624693

SCHEMBL6624693

CCCCOc1ncc(I)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTPN11 Q06124 3/20 0.43
CNR2 P34972 2/20 0.43
TP53 P04637 2/20 0.42
PLA2G2A P14555 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 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
SCHEMBL2405699 0.92 TP53 (0.41) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6625524 0.87 MEN1 (0.44) KDM4EALDH1A1CNR2PLA2G2AGABRP
SCHEMBL6361867 0.86 KMT2A (0.49) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1505647 0.85 TSHR (0.54) KDM4EALDH1A1TP53POLBTSHR
SCHEMBL28160410 0.83 KDM4E (0.49) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11453574 0.82 MEN1 (0.47) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL11551619 0.81 MEN1 (0.46) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6624700 0.81 CNR2 (0.37) KDM4ENPC1ALDH1A1RAB9ACNR2
SCHEMBL27564811 0.79 CNR2 (0.36) CNR2MAPK8TSHR
SCHEMBL25704057 0.79 POLB (0.42) KDM4EALDH1A1SMN1; SMN2GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015699-A Heterocyclic urea derivatives and methods of use thereof-211 ASTRAZENECA AB 2011-04-13 CN disclosed
US-6794387-B2 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE (CGMP PDE5) INHIBITORS; 2-(5-ACETYL-2-BUTOXY-3-PYRIDINYL)-7-ETHYL-5-METHYLIMIDAZO(5,1 -F)(1,2,4)TRIAZIN-4(3H)-ONE FOR EXAMPLE PFIZER INC. 2004-09-21 US disclosed
US-6756373-B1 SUCH AS 5-(2-BUTOXY-5-IODO-3-PYRIDINYL)-3-ETHYL-2-(2-METHOXY-ETHYL)-2,6-DIHYDRO-7H -PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE; CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; ERECTILE DYSFUNCTION PFIZER INC. 2004-06-29 US disclosed
EP-1395589-A1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE 5 INHIBITORS Pfizer Limited (GB) 2004-03-10 EP disclosed
EP-1380293-A1 BONE METABOLISM IMPROVING AGENTS The Nisshin OilliO, Ltd. (JP) 2004-01-14 EP disclosed
US-6593332-B2 Phosphodiesterase inhibitors; sexual disorders PFIZER INC. 2003-07-15 US disclosed
US-6586439-B2 Therapy for sexual disorders PFIZER INC. 2003-07-01 US disclosed
EP-1092719-B1 Imidazo[5,1-f][1,2,4]triazine derivatives PFIZER LTD (GB) 2003-05-28 EP disclosed
US-20030013727-A1 Pharmaceutically active compounds MAW GRAHAM NIGEL (GB) 2003-01-16 US disclosed
US-6503908-B1 Cyclic guanosine 3',5'-monophosphate phosphodiesterase inhibitors; sexual disorders PFIZER INC 2003-01-07 US disclosed
US-20030004173-A1 Pharmaceutically active compounds MAW GRAHAM NIGEL (GB) 2003-01-02 US disclosed
US-20020177599-A1 Pharmaceutically active compounds PFIZER INC. 2002-11-28 US disclosed
WO-2002079203-A1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE 5 INHIBITORS PFIZER LIMITED (GB) 2002-10-10 WO disclosed
US-6440982-B1 INHIBITORS OF CYCLIC GUANOSINE MONOPHOSPHATE DIESTERASES PFIZER INC. 2002-08-27 US disclosed
EP-1222190-A1 5-(2-SUBSTITUTED-5-HETEROCYCLYLSULPHONYLPYRID-3-YL)-DIHYDROPYRAZOLO[4,3-D]PYRIMIDIN-7-ONES AS PHOSPHODIESTERASE INHIBITORS Pfizer Limited (GB) 2002-07-17 EP disclosed
WO-2001027112-A1 5-(2-SUBSTITUTED-5-HETEROCYCLYLSULPHONYLPYRID-3-YL)-DIHYDROPYRAZOLO[4,3-D]PYRIMIDIN-7-ONES AS PHOSPHODIESTERASE INHIBITORS PFIZER LIMITED (GB) 2001-04-19 WO disclosed
EP-1092718-A1 2-(2-Alkoxy-5-heterocyclylsulphonylphenyl)purin-6-ones as phosphodiesterase inhibitors Pfizer Limited (GB) 2001-04-18 EP disclosed
EP-1092719-A2 Imidazo[5,1-f][1,2,4]triazine derivatives Pfizer Limited (GB) 2001-04-18 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-20030004173-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A KDM4E 3234/4885NPC1 1970/4885ALDH1A1 439/4885
US-20020177599-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A KDM4E 2267/4885NPC1 1891/4885ALDH1A1 403/4885
US-20030013727-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A KDM4E 3234/4885NPC1 1970/4885ALDH1A1 439/4885

“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.