SCHEMBL20553239

SCHEMBL20553239

CC(C)NC(Oc1ccc(OCCCn2cncn2)cc1)C(C)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.53
▸ LMNA P02545 3/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 3/20 0.45
▸ USP2 O75604 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL21775532 0.94 ALDH1A1 (0.57) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL20553649 0.85 ALDH1A1 (0.44) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL11125636 0.78 ALDH1A1 (0.60) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL20553238 0.77 PTGS1 (0.54) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL20553012 0.77 LTA4H (0.36) MAPTKDM4ESMN1; SMN2TP53ALDH1A1
SCHEMBL6222183 0.75 CARM1 (0.38) KDM4EALDH1A1
SCHEMBL12834842 0.75 MAPT (0.69) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL10789133 0.75 SMN1; SMN2 (0.70) MAPTLMNAMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL11102309 0.73 PTGS1 (0.61) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL16417992 0.72 SMN1; SMN2 (0.67) MAPTLMNAMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF VEPACHEDU SREENIVASARAO (US) 2020-08-20 — — US disclosed
EP-3618819-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-11 — — EP disclosed
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 — — US disclosed
WO-2018204713-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF EXCIVA UG (HAFTUNGSBESCHRÄNKT) (DE) 2018-11-08 — — 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-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 MAPT 3386/4885LMNA 1421/4885MEN1 3248/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A MAPT 3208/4885LMNA 2085/4885MEN1 3011/4885

“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.

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