SCHEMBL5594655

SCHEMBL5594655

O=C(NCCc1ccc(O)cc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.71
NPC1 O15118 8/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
CYP1A2 P05177 1/20 0.71
GAA P10253 1/20 0.71
CYP2D6 P10635 1/20 0.71
MAPT P10636 1/20 0.71
CYP2C19 P33261 1/20 0.71
GFER P55789 1/20 0.71
ESRRG P62508 5/20 0.69
ESRRB O95718 2/20 0.68
HDAC2 Q92769 2/20 0.66
HDAC8 Q9BY41 2/20 0.66
HDAC6 Q9UBN7 2/20 0.66
MT-CO2 P00403 1/20 0.61
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC10 Q969S8 1/20 0.60

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
SCHEMBL11711200 0.95 RAB9A (0.66) RAB9ANPC1SMN1; SMN2CYP1A2GAA
SCHEMBL14302481 0.94 MEN1 (0.69) RAB9ANPC1SMN1; SMN2CYP1A2GAA
SCHEMBL2919151 0.93 HDAC2 (0.76) RAB9ANPC1SMN1; SMN2CYP1A2GAA
SCHEMBL31420450 0.91 NPC1 (0.84) RAB9ANPC1SMN1; SMN2CYP1A2GAA
SCHEMBL14302482 0.91 RAB9A (0.65) RAB9ANPC1SMN1; SMN2CYP1A2GAA
SCHEMBL751214 0.89 HDAC2 (0.80) RAB9ANPC1SMN1; SMN2MAPTESRRG
SCHEMBL5725233 0.89 NPC1 (0.73) RAB9ANPC1ESRRGHDAC2HDAC8
Hydrochloric Acid SCHEMBL28193721 0.87 HDAC2 (0.77) RAB9ANPC1SMN1; SMN2ESRRGHDAC2
SCHEMBL11481768 0.86 HDAC2 (0.71) RAB9ANPC1SMN1; SMN2MAPTESRRG
SCHEMBL10133038 0.86 MEN1 (0.72) RAB9ANPC1SMN1; SMN2ESRRGHDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117050271-B Amide-containing bio-based benzoxazine/epoxy resin copolymer and preparation method thereof 常州宏巨电子科技有限公司 2024-05-07 CN claimed
CN-117050271-A Amide-containing bio-based benzoxazine/epoxy resin copolymer and preparation method thereof 常州宏巨电子科技有限公司 2023-11-14 CN claimed
EP-4654815-A1 UNSATURATED ALDEHYDES VIA RICE BIOTRANSFORMATION Symrise AG (DE) 2025-12-03 EP disclosed
WO-2024156880-A1 UNSATURATED ALDEHYDES VIA RICE BIOTRANSFORMATION SYMRISE AG (DE) 2024-08-02 WO disclosed
WO-2024156360-A1 UNSATURATED ALDEHYDES VIA RICE BIOTRANSFORMATION SYMRISE AG (DE) 2024-08-02 WO disclosed
CN-117050271-B Amide-containing bio-based benzoxazine/epoxy resin copolymer and preparation method thereof 常州宏巨电子科技有限公司 2024-05-07 CN disclosed
CN-117050271-A Amide-containing bio-based benzoxazine/epoxy resin copolymer and preparation method thereof 常州宏巨电子科技有限公司 2023-11-14 CN disclosed
US-20220055983-A1 AMINE-BORANES AS BIFUNCTIONAL REAGENTS FOR DIRECT AMIDATION OF CARBOXYLIC ACIDS PURDUE RESEARCH FOUNDATION (US) 2022-02-24 US disclosed
US-10568320-B2 Biologically-based control methods for insect pests THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2020-02-25 US disclosed
US-20180249708-A1 BIOLOGICALLY-BASED CONTROL METHODS FOR INSECT PESTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2018-09-06 US disclosed
CN-101973903-A Method for synthesizing capsaicin homolog UNIV ZHEJIANG 2011-02-16 CN disclosed
EP-1441724-B1 METHODS OF INCREASING ENDOGENOUS TESTOSTERONE LEVELS APPLIED RESEARCH SYSTEMS (AN) 2007-09-05 EP disclosed
EP-1633715-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS Pfizer Limited (GB) 2006-03-15 EP disclosed
WO-2004108676-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LIMITED (GB) 2004-12-16 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 (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-10568320-B2 Biologically-based control methods for insect pests PNMT, GAP43, PTMS RAB9A 1279/4885NPC1 4396/4885SMN1; SMN2 1300/4885
US-20220055983-A1 AMINE-BORANES AS BIFUNCTIONAL REAGENTS FOR DIRECT AMIDATION OF CARBOXYLIC ACIDS BRS3, CCKBR, PAM RAB9A 1611/4885NPC1 2561/4885SMN1; SMN2 2085/4885
US-20180249708-A1 BIOLOGICALLY-BASED CONTROL METHODS FOR INSECT PESTS PNMT, GAP43, PTMS RAB9A 1279/4885NPC1 4396/4885SMN1; SMN2 1300/4885

“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.