SCHEMBL23213832

SCHEMBL23213832

COC(=O)c1nc(Cl)ccc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
SLC6A3 Q01959 7/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38

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
SCHEMBL29844871 1.00 PDK2 (0.41) PDK2PDK4SLC6A3NPSR1L3MBTL1
SCHEMBL12190814 0.76 CHRNB2 (0.62) SLC6A3ALDH1A1MEN1KMT2ASLC6A4
SCHEMBL29679379 0.76 ALDH1A1 (0.51) NPSR1L3MBTL1TUBB4ATUBBTUBA3C
SCHEMBL240027 0.76 ALDH1A1 (0.51) NPSR1L3MBTL1TUBB4ATUBBTUBA3C
SCHEMBL29964233 0.76 CNR2 (0.42) PDK2PDK4NPSR1CNR2ALDH1A1
SCHEMBL14152378 0.75 PDK2 (0.41) PDK2PDK4SLC6A3CNR2SMN1; SMN2
SCHEMBL4650346 0.75 TUBB4A (0.47) PDK2PDK4SLC6A3L3MBTL1TUBB4A
SCHEMBL31252858 0.75 NPSR1 (0.48) NPSR1L3MBTL1TUBB4ATUBBTUBA3C
SCHEMBL20745210 0.75 NPSR1 (0.48) PDK2PDK4NPSR1L3MBTL1TUBB4A
SCHEMBL1428189 0.75 NPSR1 (0.48) NPSR1L3MBTL1TUBB4ATUBBTUBA3C

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-20240158414-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2024-05-16 US disclosed
EP-4041714-B1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-12-13 EP disclosed
EP-4041714-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2022-08-17 EP disclosed
CN-114630822-A Biaryl dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2022-06-14 CN disclosed
WO-2021070132-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2021-04-15 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-20240158414-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD PDK2 154/4885PDK4 191/4885SLC6A3 1302/4885

“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.