SCHEMBL21775588

SCHEMBL21775588

Cc1c[nH]c2cccc(OC(NC(C)(C)C)C(C)O)c12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
ADRB2 P07550 4/20 0.41
HTR2A P28223 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
ADRB3 P13945 2/20 0.31
NR4A2 P43354 1/20 0.31
CYP2D6 P10635 1/20 0.31
ATM Q13315 1/20 0.30
ADRB1 P08588 2/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL4727264 0.78 ADRB2 (0.50) KMT2AKDM4EMAPTADRB2HTR2A
SCHEMBL5919561 0.72 ADRB2 (0.55) MEN1KMT2AADRB2ADRB3CYP2D6
SCHEMBL21792812 0.71 MEN1 (0.98) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL13856729 0.71 MEN1 (0.98) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3363027 0.70 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPT
SCHEMBL9646679 0.69 HTR1A (0.39) MEN1KMT2AKDM4EALDH1A1ADRB2
SCHEMBL788913 0.68 HTR2A (0.57) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL18326511 0.67 ALDH1A1 (0.71) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL9131177 0.66 DHPS (0.49) MEN1KMT2AKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL9870225 0.65 ADRB2 (0.55) KDM4EALDH1A1MAPTADRB2ADRB3

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
CN-110831584-B Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2023-03-10 CN disclosed
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF VEPACHEDU SREENIVASARAO (US) 2020-08-20 US disclosed
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 US disclosed
CN-110831584-A Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2020-02-21 CN 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 MEN1 3248/4885KMT2A 1669/4885KDM4E 3464/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A MEN1 3011/4885KMT2A 572/4885KDM4E 2088/4885

“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.