SCHEMBL23927044

SCHEMBL23927044

CC(C)c1cc(Oc2ccc(N)cn2)ccc1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
BRCA1 P38398 1/20 0.49
HBB P68871 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RAB9A P51151 1/20 0.47
P2RX3 P56373 3/20 0.40
P2RX2 Q9UBL9 3/20 0.40
AR P10275 2/20 0.39
KEAP1 Q14145 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
USP2 O75604 1/20 0.36
CYP19A1 P11511 2/20 0.35
PDE4B Q07343 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
FPR2 P25090 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL29437997 1.00 KDM4E (0.50) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL23957563 0.86 AR (0.42) KDM4EPOLBRAB9AP2RX3P2RX2
SCHEMBL1980041 0.82 KDM4E (0.48) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL13720853 0.81 KDM4E (0.49) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL13721256 0.81 KDM4E (0.57) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL15303508 0.80 SLC22A12 (0.40) KDM4EALDH1A1P2RX3ARSLC22A12
SCHEMBL9923978 0.80 KDM4E (0.50) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL29438004 0.80 KDM4E (0.50) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL17571132 0.78 XIAP (0.41) POLBMEN1KMT2AALDH1A1RAB9A
SCHEMBL1978329 0.78 KDM4E (0.48) KDM4EPOLBMEN1KMT2AALDH1A1

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-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
US-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
EP-4139306-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2023-03-01 EP disclosed
WO-2021214090-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2021-10-28 WO disclosed
WO-2021214090-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2021-10-28 WO disclosed
EP-3901152-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
EP-3901152-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2021-10-27 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-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS KCNN3, KCNA4, KCNA3 KDM4E 200/4885POLB 3774/4885MEN1 2507/4885

“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.