SCHEMBL16454745

SCHEMBL16454745

CCN(CC)CCn1c2ccccc2c2c3c(ccc21)C(=O)CC3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.51
SLC6A4 P31645 2/20 0.48
SLC6A2 P23975 1/20 0.48
HRH1 P35367 1/20 0.48
TOP2A P11388 1/20 0.46
HIF1A Q16665 1/20 0.46
TP53 P04637 1/20 0.45
RAD52 P43351 3/20 0.44
SMARCA2 P51531 2/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.44
EGFR P00533 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PARP1 P09874 2/20 0.41
MPO P05164 1/20 0.40
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
APOBEC3G Q9HC16 1/20 0.39

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
SCHEMBL12608711 0.89 TP53 (0.43) G6PDSLC6A4SLC6A2HRH1TOP2A
SCHEMBL30721748 0.89 TP53 (0.43) G6PDSLC6A4SLC6A2HRH1TOP2A
Hydrochloric Acid SCHEMBL14472088 0.88 TP53 (0.42) G6PDSLC6A4SLC6A2HRH1TOP2A
SCHEMBL16131471 0.87 TP53 (0.46) TP53NPC1POLBGAAMAPT
SCHEMBL16454348 0.86 SMN1; SMN2 (0.46) G6PDSLC6A4SLC6A2HRH1TOP2A
SCHEMBL16447777 0.85 G6PD (0.48) G6PDSLC6A4SLC6A2HRH1TOP2A
SCHEMBL16447960 0.85 TP53 (0.54) G6PDSLC6A4SLC6A2HRH1HIF1A
SCHEMBL16447780 0.84 PARP1 (0.50) G6PDSLC6A4SLC6A2HRH1TOP2A
SCHEMBL16454254 0.84 PARP1 (0.42) G6PDSLC6A4SLC6A2HRH1TOP2A
SCHEMBL16454259 0.84 TP53 (0.41) G6PDSLC6A4SLC6A2HRH1TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170165229-A1 CARBAZOLE COMPOUNDS AND THERAPEUTIC USES OF THE COMPOUNDS INCURON, INC. 2017-06-15 US disclosed
US-20170165229-A1 CARBAZOLE COMPOUNDS AND THERAPEUTIC USES OF THE COMPOUNDS INCURON, INC. 2017-06-15 US disclosed
WO-2015020553-A1 CARBAZOLE COMPOUNDS AND METHODS OF USING SAME OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOST'YU "PANACELA LABS" (RU) 2015-02-12 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-20170165229-A1 CARBAZOLE COMPOUNDS AND THERAPEUTIC USES OF THE COMPOUNDS MALT1, PAICS, BCL9 G6PD 547/4885SLC6A4 3338/4885SLC6A2 3683/4885

“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.