SCHEMBL514501

SCHEMBL514501

O=[N+]([O-])c1ccccc1CNCCO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
KMT2A Q03164 4/20 0.58
KDM4E B2RXH2 2/20 0.58
TSHR P16473 1/20 0.56
CA12 O43570 1/20 0.54
CYP2C19 P33261 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.49
MEN1 O00255 3/20 0.48
ALDH3A1 P30838 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HPGD P15428 1/20 0.47
PTPN1 P18031 1/20 0.47
KDM1A O60341 1/20 0.47

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
SCHEMBL2578117 0.90 ALDH1A1 (0.55) ALDH1A1KMT2AKDM4ETSHRCA12
SCHEMBL6953167 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4ETSHRCA12
SCHEMBL27778443 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4ETSHRCA12
SCHEMBL10052620 0.83 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4ETSHRCA12
SCHEMBL20024573 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4ETSHRCA12
SCHEMBL19214784 0.82 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4ETSHRCA12
Hydrochloric Acid SCHEMBL379823 0.82 ALDH1A1 (0.59) ALDH1A1KMT2AKDM4ETSHRCA12
Hydrochloric Acid SCHEMBL28555492 0.82 KAT2B (0.55) ALDH1A1KMT2AKDM4ETSHRCA12
SCHEMBL2580906 0.81 CYP2C19 (0.54) ALDH1A1KMT2AKDM4ETSHRCA12
SCHEMBL13325439 0.81 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4ETSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2837624-B1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF ZHEJIANG HISUN PHARM CO LTD (CN) 2018-06-27 EP disclosed
US-9676736-B2 4-substituent-2-hydroxylmorpholine-3-one and preparation method thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2017-06-13 US disclosed
US-20150087828-A1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2015-03-26 US disclosed
EP-2837624-A1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF Zhejiang Hisun Pharmaceutical Co. Ltd. (CN) 2015-02-18 EP disclosed
CN-102675240-B 4-substitute-2-hydroxy morpholine-3-ketone and preparation method thereof ZHEJIANG HISUN PHARM CO LTD 2015-01-14 CN disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 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 (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-20150087828-A1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF OPRK1, HTR3C, HTR3A ALDH1A1 688/4885KMT2A 1542/4885KDM4E 2078/4885
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 ALDH1A1 1574/4885KMT2A 1766/4885KDM4E 3260/4885

“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.