SCHEMBL6695842

SCHEMBL6695842

Cc1nc[nH]c1CC(C(Cc1ccc(C(C)(C)C)cc1)c1ccccc1)N1Cc2ccccc2NCC1=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP2C9 P11712 1/20 0.31
BRS3 P32247 1/20 0.30
THRB P10828 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL6694526 0.85 HPGD (0.31) HPGD
SCHEMBL7255595 0.81 HPGD (0.32) HPGD
SCHEMBL6697422 0.73 HPGD (0.31) HPGD
SCHEMBL6701653 0.71 REN (0.35) HPGDLMNAPOLBHTT
SCHEMBL6701979 0.65 MAPK1 (0.44) MEN1ALDH1A1KMT2AMAPTNPSR1
SCHEMBL5465845 0.64 MAPT (0.60) MEN1ALDH1A1KMT2AMAPTLMNA
SCHEMBL6695836 0.61 CYP2C9 (0.37) MEN1ALDH1A1KMT2AMAPTNPSR1
SCHEMBL5470380 0.61 BRPF1 (0.41) MEN1ALDH1A1KMT2AMAPTLMNA
SCHEMBL5473498 0.59 HSD17B3 (0.42) MEN1ALDH1A1KMT2AMAPTLMNA
SCHEMBL5193417 0.57 GSK3A (0.51) HPGDMEN1ALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040009972-A1 Benzodiazepine inhibitors of mitochondial F1F0 ATP hydrolase and methods of inhibiting F1F0 ATP hydrolase BRISTOL-MYERS COMPANY 2004-01-15 US 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-20040009972-A1 Benzodiazepine inhibitors of mitochondial F1F0 ATP hydrolase and methods of inhibiting F1F0 ATP hydrolase MT-ATP6, MT-CO1, ATP5ME HPGD 947/4885MEN1 2698/4885ALDH1A1 1084/4885

“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.