SCHEMBL3208933

SCHEMBL3208933

COc1ccc(NC(=O)c2ccc(-c3ccc(C)cc3)nc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.56
PTPN6 P29350 1/20 0.56
PTPN11 Q06124 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
KEAP1 Q14145 1/20 0.55
NFE2L2 Q16236 1/20 0.55
PTPN2 P17706 1/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 1/20 0.54
PABPC1 P11940 2/20 0.52
USP2 O75604 1/20 0.52
TDO2 P48775 1/20 0.52
P4HTM Q9NXG6 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
NAMPT P43490 1/20 0.49

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
SCHEMBL3220455 0.89 PTPN1 (0.62) PTPN1PTPN6PTPN11SMN1; SMN2MEN1
SCHEMBL13947158 0.87 SMN1; SMN2 (0.65) SMN1; SMN2MEN1KMT2AKEAP1NFE2L2
SCHEMBL3214121 0.84 MEN1 (0.61) SMN1; SMN2MEN1KMT2AKEAP1NFE2L2
SCHEMBL14082987 0.83 NPC1 (0.56) PTPN1PTPN6PTPN11SMN1; SMN2MEN1
SCHEMBL3223614 0.82 SMN1; SMN2 (0.54) PTPN1SMN1; SMN2MEN1KMT2AKEAP1
SCHEMBL5934206 0.81 TRPV1 (0.61) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL14082451 0.81 MEN1 (0.58) PTPN1SMN1; SMN2MEN1KMT2AKEAP1
SCHEMBL3212017 0.81 KMT2A (0.61) PTPN1PTPN6PTPN11SMN1; SMN2MEN1
SCHEMBL14082275 0.81 TRPV1 (0.63) PTPN1PTPN6PTPN11SMN1; SMN2MEN1
SCHEMBL3222610 0.80 MEN1 (0.62) SMN1; SMN2MEN1KMT2AKEAP1NFE2L2

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 PTPN1 2011/4885PTPN6 2040/4885PTPN11 2378/4885

“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.