SCHEMBL2799748

SCHEMBL2799748

Ic1ccccc1OCc1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.57
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
APP P05067 4/20 0.46
LTA4H P09960 1/20 0.46
MAPK14 Q16539 1/20 0.46
IKBKB O14920 1/20 0.46
IDO1 P14902 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.42
SCD O00767 1/20 0.42

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
SCHEMBL74678 0.84 MAPT (0.59) APPLTA4HMAPK14IDO1MAPT
SCHEMBL7832219 0.82 CYP11B1 (0.55) ABCB1LTA4HIDO1
SCHEMBL31069619 0.79 ABCB1 (0.50) ABCB1ALDH1A1LMNALTA4HMAPK14
SCHEMBL10200751 0.79 ABCB1 (0.50) ABCB1ALDH1A1LMNALTA4HMAPK14
SCHEMBL6747740 0.78 APP (0.50) APPIDO1MAPTMAPK1TDP1
SCHEMBL14988643 0.78 APP (0.64) ABCB1ALDH1A1SMN1; SMN2LMNAAPP
SCHEMBL11959691 0.78 APP (0.64) ABCB1ALDH1A1SMN1; SMN2LMNAAPP
SCHEMBL21465854 0.78 ABCB1 (0.57) ABCB1ALDH1A1SMN1; SMN2LMNALTA4H
SCHEMBL31556121 0.78 APP (0.54) ALDH1A1SMN1; SMN2LMNAAPPMAPT
SCHEMBL22138538 0.76 IDO1 (0.50) ABCB1ALDH1A1LMNAAPPIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230102081-A1 COMPOUND AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR AND USE THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2023-03-30 US disclosed
EP-4074699-A1 COMPOUND AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR AND USE THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2022-10-19 EP disclosed
WO-2021115335-A1 COMPOUND AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR AND USE THEREOF 石药集团中奇制药技术(石家庄)有限公司 2021-06-17 WO disclosed
EP-2206714-B1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO LTD (JP) 2015-01-21 EP disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
EP-2206714-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES Kyowa Hakko Kirin Co., Ltd. (JP) 2010-07-14 EP 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-20230102081-A1 COMPOUND AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR AND USE THEREOF CDK9, CDK4, CDKL4 ABCB1 2148/4885ALDH1A1 4130/4885SMN1; SMN2 2470/4885
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 ABCB1 1336/4885ALDH1A1 243/4885SMN1; SMN2 2769/4885

“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.