SCHEMBL26686336

SCHEMBL26686336

COCCNc1cc(I)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.50
CYP1A2 P05177 8/20 0.46
CYP2C19 P33261 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 3/20 0.46
ALOX15 P16050 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
HIF1A Q16665 1/20 0.46
USP2 O75604 1/20 0.46
APEX1 P27695 1/20 0.46
CASP7 P55210 1/20 0.46
HCAR3 P49019 1/20 0.43
CYP3A4 P08684 3/20 0.43
KDM4E B2RXH2 3/20 0.42
CYP2C9 P11712 2/20 0.42
HTR7 P34969 2/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL26686038 0.90 HTT (0.44) LRRK2CYP1A2CYP2C19ALDH1A1HSD17B10
SCHEMBL2130310 0.81 NOS2 (0.53) LRRK2CYP1A2CYP2C19ALDH1A1HSD17B10
SCHEMBL13280631 0.80 LRRK2 (0.50) LRRK2CYP1A2CYP2C19ALDH1A1HSD17B10
SCHEMBL26686762 0.80 LRRK2 (0.50) LRRK2CYP1A2CYP2C19ALDH1A1HSD17B10
SCHEMBL15986862 0.79 LRRK2 (0.49) LRRK2CYP1A2CYP2C19ALDH1A1HSD17B10
SCHEMBL17403528 0.78 LRRK2 (0.48) LRRK2CYP1A2CYP2C19ALDH1A1HSD17B10
SCHEMBL12015846 0.78 LRRK2 (0.48) LRRK2CYP1A2CYP2C19ALDH1A1HSD17B10
SCHEMBL30633304 0.77 KARS1 (0.43) CLK4HTR7CDC7ROCK2PIM1
SCHEMBL26686450 0.77 KDM4D (0.47) CYP2C19ALDH1A1CLK4KDM4ECYP2D6
SCHEMBL13457807 0.77 NOS2 (0.39) ALDH1A1HCAR3HTR7SMN1; SMN2ROCK2

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
US-20250304576-A1 IKK INHIBITORS CANCER RESEARCH TECH LTD (GB) 2025-10-02 US disclosed
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 EP disclosed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 CN disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 WO disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 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-20250304576-A1 IKK INHIBITORS NFKBIA, IKBKE, IKBKB LRRK2 637/4885CYP1A2 3771/4885CYP2C19 3875/4885

“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.