SCHEMBL15428271

SCHEMBL15428271

CN1C(C)(C)c2cc3nc4c5ccccc5nc(C(C)(C)C)n4c3cc2C1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 6/20 0.46
HPGD P15428 6/20 0.46
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 3/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.35
TERT O14746 1/20 0.34
PSMD14 O00487 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL15428183 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL15427828 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL15428269 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL19669293 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL19669299 0.84 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL15428118 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL15427826 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL15428213 0.81 KDM4E (0.32) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL12072240 0.80 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL10061532 0.78 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDMAPTLMNA

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-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
WO-2014008982-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-01-16 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-20150263297-A1 Metal Complexes SOD1, AP1M1, AP3M1 ALDH1A1 3721/4885KDM4E 3816/4885HPGD 3882/4885

“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.