SCHEMBL5656262

SCHEMBL5656262

CC(C)Cn1ccnc1CO

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.41
GAA P10253 1/20 0.41
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
ADRA2C P18825 1/20 0.34
DYRK1A Q13627 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL23043971 0.85 GAA (0.42) KCNH2GAABRD4ALDH1A1SMN1; SMN2
SCHEMBL2638232 0.82 KCNH2 (0.42) KCNH2GAABRD4ALDH1A1SMN1; SMN2
SCHEMBL15969910 0.82 BRD4 (0.41) KCNH2GAABRD4ALDH1A1SMN1; SMN2
SCHEMBL27670108 0.81 BRD4 (0.40) KCNH2GAABRD4HTTSMN1; SMN2
Water SCHEMBL9893341 0.81 BRD4 (0.40) KCNH2GAABRD4ALDH1A1SMN1; SMN2
SCHEMBL10147185 0.79 KCNH2 (0.45) KCNH2GAABRD4ALDH1A1POLB
Hydrochloric Acid SCHEMBL5657547 0.79 BRD4 (0.39) KCNH2GAABRD4HTTSMN1; SMN2
SCHEMBL2647561 0.78
SCHEMBL8026054 0.77
SCHEMBL15740501 0.77 KCNH2 (0.47) KCNH2GAABRD4ALDH1A1POLB

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
CN-112174903-B Small molecule modulators of TLR8 清华大学 2022-07-12 CN disclosed
WO-2021000755-A1 SMALL-MOLECULE REGULATOR OF TLR8 清华大学 2021-01-07 WO disclosed
CN-112174903-A Small molecule modulators of TLR8 清华大学 2021-01-05 CN disclosed
WO-2020061375-A1 ANTIBACTERIAL COMPOUNDS FORGE THERAPEUTICS, INC. (US) 2020-03-26 WO disclosed
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 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 (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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 KCNH2 29/4885GAA 2987/4885BRD4 156/4885

“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.