SCHEMBL3208710

SCHEMBL3208710

C#Cc1cc(Cl)ccc1C(=O)NCCc1c[nH]cn1.c1cc2cc-2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
MAPT P10636 3/20 0.36
KMT2A Q03164 1/20 0.36
PTGS1 P23219 1/20 0.36
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 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
SCHEMBL1300384 0.72 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL3208875 0.72 MEN1 (0.43) KDM4ENPC1RAB9AMAPTKMT2A
SCHEMBL17481130 0.71 HDAC2 (0.49) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL19877338 0.69 NOS3 (0.41) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL1921256 0.69 DCLRE1B (0.48) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL3213553 0.68 IKBKB (0.43) KDM4ENPC1RAB9AKMT2ATDP1
SCHEMBL2668067 0.68 HPGD (0.52) HPGDKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9224574 0.68 ALDH1A1 (0.48) HPGDKDM4ENPC1RAB9ALMNA
SCHEMBL3028613 0.68 HDAC6 (0.51) HIF1AMAPT
SCHEMBL21820359 0.68 RAB9A (0.46) NPC1RAB9ASMN1; SMN2MAPTKMT2A

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-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B P2RX7 4236/4885HPGD 1778/4885KDM4E 987/4885

“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.