SCHEMBL560040

SCHEMBL560040

Nc1cc(Cl)ccc1N1CCCC1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.45
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 2/20 0.40
APEX1 P27695 1/20 0.40
CASP6 P55212 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL29758112 1.00 KMT2A (0.63) KMT2AHSD17B10KDM4EALDH1A1HTT
SCHEMBL2193401 0.85 KMT2A (0.47) KMT2AHSD17B10KDM4EALDH1A1HTT
SCHEMBL2699875 0.82 P2RX7 (0.46) KMT2AHSD17B10KDM4ESMN1; SMN2HPGD
SCHEMBL1196908 0.81 KMT2A (0.45) KMT2AHSD17B10KDM4EALDH1A1HTT
Hydrochloric Acid SCHEMBL1016467 0.80 KMT2A (0.44) KMT2AHSD17B10KDM4EALDH1A1HTT
SCHEMBL16574014 0.79 HSD17B10 (0.54) KMT2AHSD17B10ALDH1A1LMNASMN1; SMN2
SCHEMBL1016531 0.78 SMN1; SMN2 (0.42) KMT2AHSD17B10KDM4EALDH1A1LMNA
SCHEMBL23466602 0.77 SMN1; SMN2 (0.67) KMT2AKDM4EALDH1A1HTTLMNA
SCHEMBL29758010 0.77 SMN1; SMN2 (0.67) KMT2AKDM4EALDH1A1HTTLMNA
SCHEMBL30168172 0.77 ALDH1A1 (0.57) KMT2AHSD17B10KDM4EALDH1A1HTT

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-114728917-B Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-12-08 CN disclosed
CN-114728917-A Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 CN disclosed
WO-2021110076-A1 OXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 深圳信立泰药业股份有限公司 2021-06-10 WO disclosed
WO-2021110076-A1 OXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 深圳信立泰药业股份有限公司 2021-06-10 WO disclosed
US-8344028-B2 Gamma-amino-butyric acid derivatives as GABAB receptor ligands XENOPORT, INC. (US) 2013-01-01 US disclosed
EP-2419401-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAb RECEPTOR LIGANDS XenoPort, Inc. (US) 2012-02-22 EP disclosed
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2012-02-09 US disclosed
US-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2010-10-21 US disclosed
WO-2010120370-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. (US) 2010-10-21 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-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 KMT2A 3550/4885HSD17B10 1005/4885KDM4E 3716/4885
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 KMT2A 3550/4885HSD17B10 1005/4885KDM4E 3716/4885

“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.