SCHEMBL22823029

SCHEMBL22823029

Nc1cccc(C(=O)NCCCN2CCOCC2)c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.70
▸ ALDH1A1 P00352 3/20 0.70
▸ KDM4E B2RXH2 1/20 0.70
▸ GAA P10253 3/20 0.62
▸ TSHR P16473 1/20 0.62
▸ CYP2C9 P11712 2/20 0.61
▸ CYP2D6 P10635 2/20 0.61
▸ CYP2C19 P33261 3/20 0.60
▸ CD274 Q9NZQ7 1/20 0.58
▸ EPHX2 P34913 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ GLA P06280 1/20 0.57

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
SCHEMBL4572822 0.93 CYP2C19 (0.69) SMN1; SMN2ALDH1A1KDM4ECYP2C9CYP2D6
Hydrochloric Acid SCHEMBL7398448 0.91 CYP2C19 (0.67) SMN1; SMN2ALDH1A1KDM4ECYP2C9CYP2D6
SCHEMBL3866762 0.89 KMT2A (0.66) SMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL29818241 0.85 TSHR (0.73) SMN1; SMN2ALDH1A1KDM4EGAATSHR
SCHEMBL10192030 0.85 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1KDM4EGAATSHR
SCHEMBL12459935 0.85 CD274 (0.79) SMN1; SMN2ALDH1A1KDM4ETSHRCYP2C9
SCHEMBL1382764 0.84 SMN1; SMN2 (0.95) SMN1; SMN2ALDH1A1KDM4EGAATSHR
SCHEMBL12334129 0.83 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1KDM4EGAATSHR
SCHEMBL12305542 0.82 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1KDM4EGAATSHR
SCHEMBL14023396 0.82 LMNA (0.61) SMN1; SMN2ALDH1A1KDM4ETSHRCYP2C9

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
CN-114456166-B 5-substituted amino-3-methylpyrido [2,3-d ] pyrimidine compound and preparation and application thereof 沈阳药科大学 2023-06-16 — — CN disclosed
US-20230045031-A1 Diarylamide Compound and Application Thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2023-02-09 — — US disclosed
CN-114456166-A 5-substituted amino-3-methylpyrido [2,3-d ] pyrimidine compound and preparation and application thereof 沈阳药科大学 2022-05-10 — — CN disclosed
EP-3984534-A1 DIARYLAMIDE COMPOUND AND APPLICATION THEREOF Peking University (CN) 2022-04-20 — — EP disclosed
WO-2020253802-A1 DIARYLAMIDE COMPOUND AND APPLICATION THEREOF 北京大学 2020-12-24 — — 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 (1 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-20230045031-A1 Diarylamide Compound and Application Thereof SLC14A1, SLC28A1, SLC28A2 SMN1; SMN2 4727/4885ALDH1A1 903/4885KDM4E 3421/4885

“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.

Send feedback