SCHEMBL6894162

SCHEMBL6894162

O=C(N=C=NC1CCCCC1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
HIF1A Q16665 1/20 0.44
MCL1 Q07820 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
KMO O15229 1/20 0.37
ALDH1A1 P00352 4/20 0.37
POLB P06746 2/20 0.37
ELANE P08246 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL1774091 0.84 NPC1 (0.45) EPHX1HIF1ARAB9ANPC1ALDH1A1
SCHEMBL16424555 0.81 EPHX1 (0.44) EPHX1HIF1AMCL1RAB9ANPC1
SCHEMBL29831394 0.79 NPC1 (0.48) EPHX1HIF1ARAB9ANPC1ALDH1A1
SCHEMBL1774092 0.79 NPC1 (0.48) EPHX1HIF1ARAB9ANPC1ALDH1A1
SCHEMBL5168305 0.78 MCL1 (0.43) MCL1RAB9ANPC1KMOALDH1A1
SCHEMBL8394538 0.78 MCL1 (0.43) MCL1RAB9ANPC1KMOALDH1A1
SCHEMBL8396555 0.78 MCL1 (0.43) MCL1RAB9ANPC1KMOALDH1A1
SCHEMBL3033731 0.75 MCL1 (0.44) MCL1RAB9ANPC1KMOALDH1A1
SCHEMBL414294 0.73 EPHX1 (0.40) EPHX1HIF1AMCL1RAB9ANPC1
SCHEMBL8396484 0.72 TDP1 (0.41) MCL1RAB9ANPC1ALDH1A1POLB

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-20040097734-A1 Aryl- and heteroarylcarbonylpiperazines and their use for the treatment of benign and malignant oncoses ZENTARIS GMBH (DE) 2004-05-20 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-20040097734-A1 Aryl- and heteroarylcarbonylpiperazines and their use for the treatment of benign and malignant oncoses VHL, MYC, HCCS EPHX1 645/4885HIF1A 825/4885MCL1 17/4885

“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.