SCHEMBL26209102

SCHEMBL26209102

CC(C)c1cccc(CCc2ncccn2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.36
▸ NOS1 P29475 2/20 0.36
▸ NOS2 P35228 2/20 0.36
▸ CXCR4 P61073 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ APP P05067 3/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL9974287 0.78 KCNH2 (0.47) KCNH2NOS1NOS2CXCR4ALDH1A1
SCHEMBL27800481 0.77 KCNH2 (0.37) KCNH2NOS1NOS2
SCHEMBL12120627 0.77 SYK (0.40) KCNH2NOS1NOS2
SCHEMBL9232330 0.77 KCNH2 (0.37) KCNH2NOS1NOS2CYP1A2
SCHEMBL8250521 0.75 KCNH2 (0.58) KCNH2NOS1NOS2
SCHEMBL20207664 0.74 CYP1A2 (0.36) KCNH2NOS1NOS2CYP1A2
SCHEMBL1581851 0.74 KCNH2 (0.36) KCNH2NOS1NOS2CXCR4GRIN1
SCHEMBL31481285 0.74 KCNH2 (0.36) KCNH2NOS1NOS2CXCR4GRIN1
SCHEMBL22639190 0.72 CYP2D6 (0.34) KCNH2CXCR4PDE10A
SCHEMBL18812906 0.72 CXCR4 (0.33) CXCR4CYP1A2TGFBR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365541-A1 INHIBITOR OF ENHANCER OF ZESTE HOMOLOGUE 2, AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-11-16 — — US disclosed
US-20230279015-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-09-07 — — 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-20230279015-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, OAT KCNH2 2412/4885NOS1 3970/4885NOS2 3232/4885
US-20230365541-A1 INHIBITOR OF ENHANCER OF ZESTE HOMOLOGUE 2, AND USE THEREOF EZH2, BMI1, EZH1 KCNH2 3743/4885NOS1 4530/4885NOS2 4384/4885

“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.

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