SCHEMBL18257154

SCHEMBL18257154

O=C(Nc1cccc2cccnc12)c1ccc(Br)nc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.74
KDR P35968 5/20 0.73
HDAC6 Q9UBN7 1/20 0.71
HTT P42858 1/20 0.70
L3MBTL1 Q9Y468 3/20 0.66
GAA P10253 2/20 0.66
MAPT P10636 5/20 0.62
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
TP53 P04637 2/20 0.62
CASP3 P42574 1/20 0.62
SENP8 Q96LD8 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
SENP6 Q9GZR1 1/20 0.62
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
POLB P06746 1/20 0.59
ALDH1A1 P00352 2/20 0.58
TSHR P16473 1/20 0.58
KDM4E B2RXH2 2/20 0.58

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
SCHEMBL18257156 0.85 KDR (0.74) TDP1KDRHDAC6HTTL3MBTL1
SCHEMBL30061443 0.85 TDP1 (1.00) TDP1KDRHDAC6HTTL3MBTL1
SCHEMBL15328429 0.85 TDP1 (1.00) TDP1KDRHDAC6HTTL3MBTL1
SCHEMBL29205661 0.84 KDR (1.00) TDP1KDRHDAC6HTTL3MBTL1
SCHEMBL18257152 0.84 KDR (0.73) TDP1KDRHDAC6HTTL3MBTL1
SCHEMBL31398643 0.84 KDR (0.73) TDP1KDRHDAC6HTTL3MBTL1
SCHEMBL19631488 0.83 HDAC6 (1.00) TDP1KDRHDAC6HTTL3MBTL1
SCHEMBL29647754 0.83 HDAC6 (1.00) TDP1KDRHDAC6HTTL3MBTL1
SCHEMBL6645868 0.82 HTT (1.00) TDP1KDRHDAC6HTTL3MBTL1
SCHEMBL15270551 0.81 HDAC6 (0.79) TDP1KDRHDAC6HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10457662-B2 Substituted amides for treating and preventing cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-29 US disclosed
US-10457662-B2 Substituted amides for treating and preventing cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-29 US disclosed
US-20180282296-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2018-10-04 US disclosed
WO-2016187544-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-24 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 (2 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-20180282296-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER NNT, NQO1, NAMPT TDP1 2509/4885KDR 4802/4885HDAC6 46/4885
US-10457662-B2 Substituted amides for treating and preventing cancer NQO1, NNT, SIRT1 TDP1 3468/4885KDR 4310/4885HDAC6 24/4885

“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.