SCHEMBL6972024

SCHEMBL6972024

CCCNc1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
ICMT O60725 1/20 0.46
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
IDO1 P14902 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NOS1 P29475 1/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
KCNA5 P22460 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.43

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
SCHEMBL14155105 0.90 TLR8 (0.47) MAPTALDH1A1ICMTPDK1PDK2
SCHEMBL28133362 0.88 ABL1 (0.44) MAPTALDH1A1ICMTPDK1PDK2
SCHEMBL3476587 0.87 ABL1 (0.47) MAPTALDH1A1ICMTPDK1PDK2
SCHEMBL3671419 0.85 GABRG2 (0.50) MAPTALDH1A1PDK1PDK2PDK3
SCHEMBL18707796 0.84 MAPT (0.46) MAPTALDH1A1IDO1MEN1KMT2A
SCHEMBL5712396 0.84 ALDH1A1 (0.47) MAPTALDH1A1ICMTPDK1PDK2
SCHEMBL10019234 0.82 ALDH1A1 (0.50) MAPTALDH1A1ICMTPDK1PDK2
SCHEMBL10019236 0.82 ALDH1A1 (0.46) MAPTALDH1A1ICMTPDK1PDK2
SCHEMBL9850362 0.82 SYK (0.51) MAPTALDH1A1ICMTPDK1PDK2
SCHEMBL5540239 0.82 MAPT (0.44) MAPTALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024147313-A1 HOLE TRANSPORTING MATERIAL 日本精化株式会社 2024-07-11 WO disclosed
US-20230257415-A1 COMPOUNDS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. 2023-08-17 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20030166694-A1 Glycinamides MERCK PATENT GMBH (DE) 2003-09-04 US disclosed
EP-1284961-A1 GLYCINAMIDES MERCK PATENT GmbH (DE) 2003-02-26 EP disclosed
WO-2001092219-A1 GLYCINAMIDES MERCK PATENT GMBH (DE) 2001-12-06 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 (3 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 MAPT 2110/4885ALDH1A1 796/4885ICMT 4360/4885
US-20230257415-A1 COMPOUNDS FOR TREATING CNS DISORDERS PMP22, SLC18A2, SLC6A1 MAPT 48/4885ALDH1A1 1007/4885ICMT 3732/4885
US-20030166694-A1 Glycinamides F11, SERPINC1, F13A1 MAPT 4813/4885ALDH1A1 540/4885ICMT 3487/4885

“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.