SCHEMBL13154263

SCHEMBL13154263

CC(C)(C)C(=O)CNCc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
CYP2D6 P10635 1/20 0.59
ALDH1A1 P00352 4/20 0.53
HTT P42858 3/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RECQL P46063 1/20 0.53
KDM4E B2RXH2 1/20 0.51
KMT2A Q03164 2/20 0.50
PKM P14618 1/20 0.50
CHRM2 P08172 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
FES P07332 1/20 0.48
RET P07949 1/20 0.48
MARK3 P27448 1/20 0.48
TYK2 P29597 1/20 0.48

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
SCHEMBL14189533 0.83 CYP1A2 (0.65) CYP1A2CYP2D6ALDH1A1HTTMAPT
SCHEMBL11296937 0.81 CYP1A2 (0.54) CYP1A2CYP2D6ALDH1A1HTTMAPT
SCHEMBL2006175 0.81 CYP1A2 (0.67) CYP1A2CYP2D6ALDH1A1MAPTNPSR1
SCHEMBL29653592 0.81 CYP1A2 (0.67) CYP1A2CYP2D6ALDH1A1MAPTNPSR1
SCHEMBL3398316 0.81 CYP1A2 (0.67) CYP1A2CYP2D6ALDH1A1HTTMAPT
SCHEMBL12622722 0.80 ALDH1A1 (0.54) ALDH1A1HTTLMNARECQLKDM4E
SCHEMBL1815219 0.80 RECQL (0.66) CYP1A2CYP2D6ALDH1A1HTTMAPT
SCHEMBL29644833 0.80 RECQL (0.66) CYP1A2CYP2D6ALDH1A1HTTMAPT
SCHEMBL8905843 0.79 NAPRT (0.62) CYP1A2ALDH1A1HTTMAPTLMNA
SCHEMBL24996969 0.79 CYP1A2 (0.59) CYP1A2CYP2D6ALDH1A1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-02-09 US disclosed
US-7803836-B2 Aminophenylsulfonamide derivatives as HIV protease inhibitor TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-09-28 US disclosed
US-7803836-B2 Aminophenylsulfonamide derivatives as HIV protease inhibitor TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-09-28 US disclosed
US-20080306061-A1 Aminophenylsulfonamide Derivatives as Hiv Protease Inhibitor JANSSEN SCIENCES IRELAND UC (IE) 2008-12-11 US disclosed
US-20080306061-A1 Aminophenylsulfonamide Derivatives as Hiv Protease Inhibitor JANSSEN SCIENCES IRELAND UC (IE) 2008-12-11 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-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, RORB CYP1A2 442/4885CYP2D6 489/4885ALDH1A1 1037/4885
US-20080306061-A1 Aminophenylsulfonamide Derivatives as Hiv Protease Inhibitor DNPEP, NPEPPS, ANPEP CYP1A2 2182/4885CYP2D6 814/4885ALDH1A1 3182/4885

“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.