SCHEMBL2552810

SCHEMBL2552810

O=C(O)N1CCCC(c2ccc(Br)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
HIF1A Q16665 1/20 0.46
HSD11B1 P28845 3/20 0.45
PROKR1 Q8TCW9 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRNA7 P36544 1/20 0.44
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL23854774 1.00 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP3A4GAA
SCHEMBL25322608 0.92 MAPT (0.58) ALDH1A1MAPTCYP1A2CYP3A4GAA
SCHEMBL83732 0.86 KDM1A (0.49) ALDH1A1MAPTCYP1A2CYP3A4GAA
SCHEMBL84176 0.86 KDM1A (0.49) ALDH1A1MAPTCYP1A2CYP3A4GAA
SCHEMBL3312540 0.85 ALDH1A1 (0.62) ALDH1A1MAPTHPGDLMNAHIF1A
SCHEMBL22804482 0.84 BRD4 (0.46) ALDH1A1MAPTCYP1A2CYP3A4GAA
SCHEMBL1995415 0.84 ALDH1A1 (0.48) ALDH1A1MAPTHPGDLMNAHIF1A
SCHEMBL9509660 0.84 PROKR1 (0.60) ALDH1A1MAPTHTTHPGDLMNA
SCHEMBL3737773 0.84 ALDH1A1 (0.48) ALDH1A1MAPTHPGDLMNAHIF1A
SCHEMBL4099888 0.84 RAB9A (0.57) ALDH1A1MAPTGAAHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115626891-A Synthesis method of nilapanib key intermediate 四川轻化工大学 2023-01-20 CN claimed
CN-110300587-B Deuterated (S) -2- (4- (piperidin-3-yl) phenyl) -2H-indazole-7-carboxamide 康姆芘法思催化剂股份有限公司 2023-07-18 CN disclosed
CN-115626891-A Synthesis method of nilapanib key intermediate 四川轻化工大学 2023-01-20 CN disclosed
US-11384062-B2 Deuterated (S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide COMBIPHOS CATALYSTS, INC. (US) 2022-07-12 US disclosed
CN-110156751-B Novel method for preparing nilapanib and intermediate thereof 江苏食品药品职业技术学院 2022-01-18 CN disclosed
EP-3606524-B1 DEUTERATED (S)-2-(4-(PIPERIDIN-3-YL)PHENYL)-2H-INDAZOLE-7-CARBOXAMIDE COMBIPHOS CATALYSTS INC (US) 2021-12-01 EP disclosed
US-20210300895-A1 DEUTERATED (S)-2-(4-(PIPERIDIN-3-YL)PHENYL)-2H-INDAZOLE-7-CARBOXAMIDE COMBIPHOS CATALYSTS, INC. (US) 2021-09-30 US disclosed
EP-2552206-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-02-06 EP disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 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 (2 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-20210300895-A1 DEUTERATED (S)-2-(4-(PIPERIDIN-3-YL)PHENYL)-2H-INDAZOLE-7-CARBOXAMIDE BRCA1, PARP3, PARP8 ALDH1A1 874/4885MAPT 3874/4885CYP1A2 394/4885
US-11384062-B2 Deuterated (S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide BRCA1, PARP3, PARP8 ALDH1A1 874/4885MAPT 3874/4885CYP1A2 394/4885

“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.