SCHEMBL829196

SCHEMBL829196

O=C(Oc1ccccc1Br)N1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.63
ALDH1A1 P00352 5/20 0.63
GAA P10253 1/20 0.63
NPC1 O15118 5/20 0.61
HPGD P15428 4/20 0.61
RAB9A P51151 4/20 0.61
NCEH1 Q6PIU2 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
HTT P42858 1/20 0.61
TSHR P16473 2/20 0.60
TDP1 Q9NUW8 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
POLB P06746 3/20 0.56
TP53 P04637 3/20 0.54
LMNA P02545 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54

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
SCHEMBL829466 0.98 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1GAANPC1HPGD
SCHEMBL18297996 0.86 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1GAANPC1HPGD
SCHEMBL829571 0.85 NCEH1 (0.51) SMN1; SMN2ALDH1A1GAANPC1HPGD
SCHEMBL25249468 0.84 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1GAANPC1HPGD
SCHEMBL25243647 0.84 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1GAANPC1HPGD
SCHEMBL21089037 0.84 TP53 (0.51) SMN1; SMN2ALDH1A1GAANPC1HPGD
SCHEMBL25286920 0.84 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1GAANPC1HPGD
SCHEMBL20887181 0.81 NPSR1 (0.70) SMN1; SMN2ALDH1A1GAANPC1HPGD
SCHEMBL829640 0.81 GAA (0.64) SMN1; SMN2ALDH1A1GAANPC1HPGD
SCHEMBL20626906 0.81 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1GAANPC1HPGD

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
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
EP-4204415-A1 HETEROCYCLIC GLP-1 AGONISTS Gasherbrum Bio, Inc. (US) 2023-07-05 EP disclosed
CN-115626891-A Synthesis method of nilapanib key intermediate 四川轻化工大学 2023-01-20 CN 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
US-8143257-B2 inhibiting angiogenesis; cancer, diabetic retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, chronic inflammation or exudative macular degeneration; 4-(Hydroxy-diphenyl-methyl)-piperidine-1-carboxylic acid 1-bromo-naphthalen-2-yl ester PTC THERAPEUTICS, INC. (US) 2012-03-27 US disclosed
US-8143257-B2 inhibiting angiogenesis; cancer, diabetic retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, chronic inflammation or exudative macular degeneration; 4-(Hydroxy-diphenyl-methyl)-piperidine-1-carboxylic acid 1-bromo-naphthalen-2-yl ester PTC THERAPEUTICS, INC. (US) 2012-03-27 US disclosed
US-8143257-B2 inhibiting angiogenesis; cancer, diabetic retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, chronic inflammation or exudative macular degeneration; 4-(Hydroxy-diphenyl-methyl)-piperidine-1-carboxylic acid 1-bromo-naphthalen-2-yl ester PTC THERAPEUTICS, INC. (US) 2012-03-27 US disclosed
US-20080261956-A1 Substituted Phenols as Active Agents Inhibiting Vegf Production PTC THERAPEUTICS, INC. 2008-10-23 US disclosed
US-20080261956-A1 Substituted Phenols as Active Agents Inhibiting Vegf Production PTC THERAPEUTICS, INC. 2008-10-23 US disclosed
US-20080261956-A1 Substituted Phenols as Active Agents Inhibiting Vegf Production PTC THERAPEUTICS, INC. 2008-10-23 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-20080261956-A1 Substituted Phenols as Active Agents Inhibiting Vegf Production VEGFA, FLT4, FLT1 SMN1; SMN2 4842/4885ALDH1A1 936/4885GAA 805/4885

“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.