SCHEMBL26439682

SCHEMBL26439682

OC1CCCn2cccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 5/20 0.40
ADRA2C P18825 1/20 0.39
MAPT P10636 7/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
ACHE P22303 1/20 0.31
BRD3 Q15059 1/20 0.31
HTT P42858 1/20 0.31
MITF O75030 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 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
SCHEMBL27977488 0.88
SCHEMBL11201877 0.74 CDC42 (0.41) ALDH1A1KDM4EADRA2CMAPTKMT2A
SCHEMBL11201961 0.70 ADRA2C (0.41) ALDH1A1KDM4EADRA2CMAPTKMT2A
SCHEMBL11198170 0.70 ALDH1A1 (0.36) ALDH1A1KDM4EADRA2CMAPTKMT2A
SCHEMBL11197597 0.69 CDC42 (0.40) ALDH1A1KDM4EADRA2CMAPTGAA
SCHEMBL2560148 0.68 KDM4E (0.34) ALDH1A1KDM4EADRA2CMAPTGAA
SCHEMBL11201084 0.67 KDM4E (0.39) ALDH1A1KDM4EADRA2CMAPTGAA
SCHEMBL19044201 0.67 IDO1 (0.36) ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL29649258 0.67 CYP17A1 (0.34) ALDH1A1MAPT
SCHEMBL27334843 0.67 ALDH1A1 (0.39) ALDH1A1KDM4EADRA2CMAPTKMT2A

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-110072864-A TDO2 INHIBITORS 基因泰克公司 2019-07-30 CN claimed
US-20230219890-A1 BICYCLIC COMPOUNDS AND USE THEREOF BETTA PHARMACEUTICALS CO LTD (CN) 2023-07-13 US disclosed
WO-2023066377-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 索智生物科技(浙江)有限公司 2023-04-27 WO disclosed
US-20220306635-A1 TDO2 Inhibitors GENENTECH, INC. 2022-09-29 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-20230219890-A1 BICYCLIC COMPOUNDS AND USE THEREOF CYP11B2, CYP11B1, CYP1B1 ALDH1A1 445/4885KDM4E 3088/4885ADRA2C 213/4885
US-20220306635-A1 TDO2 Inhibitors TDO2, IDO2, IDO1 ALDH1A1 1849/4885KDM4E 827/4885ADRA2C 1005/4885

“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.