SCHEMBL17445274

SCHEMBL17445274

Brc1ccc(-c2nnc(-c3ccc(Br)cc3)nn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
USP2 O75604 1/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 2/20 0.50
CYP2A6 P11509 1/20 0.50
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NR1H4 Q96RI1 1/20 0.45
METAP2 P50579 1/20 0.44

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
SCHEMBL24340715 0.87 ATM (0.47) ATMNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL19009141 0.87 ALDH1A1 (0.62) ATMNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL21371624 0.84 TP53 (0.54) ATMNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL25440108 0.82 LMNA (0.43) ATMNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2801074 0.81 NR1H4 (0.50) ATMNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7483606 0.78 PTGES (0.43) ATMNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13108718 0.78 KMT2A (0.59) ATMNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1673427 0.75 ALDH1A1 (0.73) ATMNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL68094 0.75 ALDH1A1 (0.73) ATMNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12302096 0.75 ALDH1A1 (0.73) ATMNPC1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174826-A1 DONOR-ACCEPTOR POLYMERS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-06-22 US disclosed
WO-2016010485-A1 DONOR-ACCEPTOR POLYMERS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-01-21 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-20170174826-A1 DONOR-ACCEPTOR POLYMERS TST, ETFA, SQOR ATM 1026/4885NPC1 2512/4885RAB9A 2673/4885

“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.