SCHEMBL2475232

SCHEMBL2475232

O=C(C(=NO)c1cccc(F)c1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.58
CES1 P23141 4/20 0.58
GAA P10253 2/20 0.50
PARP1 P09874 1/20 0.50
CYP2C19 P33261 1/20 0.50
PKM P14618 1/20 0.49
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
KCNK3 O14649 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 2/20 0.46
KAT6A Q92794 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PLA2G7 Q13093 1/20 0.42
GPR52 Q9Y2T5 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL2512214 1.00 CES2 (0.58) CES2CES1GAAPARP1CYP2C19
SCHEMBL4353902 0.81 GAA (0.65) CES2CES1GAAPARP1CYP2C19
SCHEMBL12997589 0.81 GAA (0.65) CES2CES1GAAPARP1CYP2C19
SCHEMBL2510908 0.79 SMN1; SMN2 (0.53) CES2CES1GAAPARP1CYP2C19
SCHEMBL2510907 0.79 SMN1; SMN2 (0.53) CES2CES1GAAPARP1CYP2C19
SCHEMBL6979235 0.76 NPC1 (0.40) CES2CES1GAACYP2C19KMT2A
SCHEMBL28788147 0.76 CES2 (0.63) CES2CES1GAAPARP1PKM
SCHEMBL29019528 0.76 CES2 (0.63) CES2CES1GAAPARP1PKM
SCHEMBL8878377 0.75 CES2 (0.62) CES2CES1GAAPARP1PKM
SCHEMBL3169331 0.75 CES2 (1.00) CES2CES1PARP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200385357-A1 SUBSTITUTED PYRIDAZINES AND 1,2,4-TRIAZINES AS PROSTACYCLIN RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2020-12-10 US disclosed
US-10793529-B2 Substituted pyridazines and 1,2,4-triazines as prostacyclin receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2020-10-06 US disclosed
US-20190248749-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-08-15 US disclosed
US-10138210-B2 Substituted pyridazines as prostacyclin receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2018-11-27 US disclosed
US-20170057931-A1 Substituted pyridazines as prostacyclin receptor modulators ARENA PHARMACEUTICALS, INC. 2017-03-02 US disclosed
EP-2370413-B1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2015-08-05 EP disclosed
US-20150191454-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2015-07-09 US disclosed
US-8940891-B2 Modulators of the prostacyclin (PGI2) receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
US-20110245251-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
EP-2370413-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2011-10-05 EP disclosed
WO-2010077275-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-07-08 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 (7 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-10793529-B2 Substituted pyridazines and 1,2,4-triazines as prostacyclin receptor modulators PTGIR, PTGIS, TBXA2R CES2 4521/4885CES1 3071/4885GAA 4499/4885
US-10138210-B2 Substituted pyridazines as prostacyclin receptor modulators PTGIR, PTGIS, PTGER1 CES2 4575/4885CES1 3179/4885GAA 4354/4885
US-20110245251-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 CES2 4575/4885CES1 2353/4885GAA 3793/4885
US-20170057931-A1 Substituted pyridazines as prostacyclin receptor modulators PTGIR, PTGIS, PTGER1 CES2 4575/4885CES1 3179/4885GAA 4354/4885
US-20190248749-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 CES2 4576/4885CES1 2326/4885GAA 3802/4885
US-20150191454-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 CES2 4575/4885CES1 2353/4885GAA 3793/4885
US-20200385357-A1 SUBSTITUTED PYRIDAZINES AND 1,2,4-TRIAZINES AS PROSTACYCLIN RECEPTOR MODULATORS PTGIR, PTGIS, TBXA2R CES2 4521/4885CES1 3071/4885GAA 4499/4885

“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.