SCHEMBL4477389

SCHEMBL4477389

CC(C)n1nc(C=O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 11/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MPO P05164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
IMPDH2 P12268 1/20 0.39
SSTR4 P31391 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL23218655 0.78 NLRP3 (0.35) KMT2AALDH1A1SMN1; SMN2PDE4B
SCHEMBL29561158 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CYP1A2CYP2C19IMPDH2
SCHEMBL465585 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CYP1A2CYP2C19IMPDH2
SCHEMBL30014534 0.77 KMT2A (0.44) HTR4KMT2AALDH1A1MPOSMN1; SMN2
SCHEMBL13322634 0.77 KMT2A (0.44) HTR4KMT2AALDH1A1MPOSMN1; SMN2
SCHEMBL5824142 0.75 SSTR4 (0.41) KMT2AALDH1A1SMN1; SMN2CYP1A2IMPDH2
SCHEMBL6112212 0.74 ESR1 (0.56) ALDH1A1MPOSMN1; SMN2CYP1A2CYP2C19
SCHEMBL13174590 0.74 SMN1; SMN2 (0.49) HTR4KMT2AALDH1A1MPOSMN1; SMN2
SCHEMBL31495822 0.74 SMN1; SMN2 (0.49) HTR4KMT2AALDH1A1MPOSMN1; SMN2
SCHEMBL6652043 0.73 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CYP1A2CYP2C19IMPDH2

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-3180333-B1 PROCESS FOR LARGE SCALE PRODUCTION OF 1-ISOPROPYL-3-{5- [1-(3-METHOXYPROPYL) PIPERIDIN-4-YL]-[1,3,4]OXADIAZOL-2-YL}-1H-INDAZOLE OXALATE SUVEN LIFE SCIENCES LTD (IN) 2020-07-08 EP claimed
CN-110669107-A Antibacterial peptide and preparation method thereof 上海医药工业研究院 2020-01-10 CN claimed
CN-106604921-B The method that 1- isopropyl -3- { 5- [1- (3- methoxy-propyl) piperidin-4-yl]-[1,3,4] oxadiazoles -2- base } -1H- indazole oxalates is mass produced 苏文生命科学有限公司 2019-04-02 CN claimed
CN-106604921-A Process for large scale production of 1-isopropyl-3-{5- [1-(3-methoxypropyl) piperidin-4-yl]-[1,3,4]oxadiazol-2-yl}- 1h-indazole oxalate 苏文生命科学有限公司 2017-04-26 CN claimed
US-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2006-05-18 US claimed
CN-110669107-A Antibacterial peptide and preparation method thereof 上海医药工业研究院 2020-01-10 CN disclosed
CN-106604921-B The method that 1- isopropyl -3- { 5- [1- (3- methoxy-propyl) piperidin-4-yl]-[1,3,4] oxadiazoles -2- base } -1H- indazole oxalates is mass produced 苏文生命科学有限公司 2019-04-02 CN disclosed
CN-106604921-A Process for large scale production of 1-isopropyl-3-{5- [1-(3-methoxypropyl) piperidin-4-yl]-[1,3,4]oxadiazol-2-yl}- 1h-indazole oxalate 苏文生命科学有限公司 2017-04-26 CN disclosed
US-7598286-B2 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2009-10-06 US disclosed
WO-2007010390-A1 INDAZOLECARBOXAMIDE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS PFIZER JAPAN INC. (JP) 2007-01-25 WO disclosed
US-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2006-05-18 US disclosed
WO-2006050006-A2 ((1H-INDAZOL-3-YL)METHYL) PHENOLS AND (HYDROXYPHENYL)(1H-INDAZOL-3-YL) METHANONES AS LIGANDS OF THE ESTROGEN RECEPTOR WYETH (US) 2006-05-11 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-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones PTGS1, NOS3, PTGIS HTR4 303/4885KMT2A 3116/4885ALDH1A1 210/4885

“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.