SCHEMBL753445

SCHEMBL753445

c1cnc2cc3c(cc2c1)sc1cc2c(cc13)sc1cc3cccnc3cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
POLB P06746 2/20 0.47
RAB9A P51151 2/20 0.47
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
CASP6 P55212 1/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CASP1 P29466 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ATM Q13315 2/20 0.44
CASP7 P55210 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR4A2 P43354 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 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
SCHEMBL26423549 0.90 GPR3 (0.47) NPC1POLBRAB9APDGFRBPDGFRA
SCHEMBL18719391 0.87 NPC1 (0.46) NPC1POLBRAB9APDGFRBPDGFRA
SCHEMBL26423595 0.86 NPC1 (0.42) NPC1POLBRAB9APDGFRBPDGFRA
SCHEMBL26423616 0.86 LMNA (0.43) NPC1POLBRAB9APDGFRBPDGFRA
SCHEMBL26423590 0.85 NPC1 (0.39) NPC1POLBRAB9APDGFRBPDGFRA
SCHEMBL25548897 0.85 NR4A2 (0.56) NPC1POLBRAB9APDGFRBPDGFRA
SCHEMBL26423610 0.85 NPC1 (0.39) NPC1POLBRAB9APDGFRBPDGFRA
SCHEMBL26423542 0.82 GPR3 (0.47) NPC1POLBRAB9APDGFRBPDGFRA
SCHEMBL18719388 0.82 NPC1 (0.42) NPC1POLBRAB9APDGFRBPDGFRA
SCHEMBL30061742 0.81 ALDH1A1 (0.46) NPC1POLBRAB9APDGFRBPDGFRA

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-8138355-B2 Heteroacene derivative, tetrahaloterphenyl derivative, and processes for producing the same TOSOH CORPORATION (JP) 2012-03-20 US disclosed
US-8138355-B2 Heteroacene derivative, tetrahaloterphenyl derivative, and processes for producing the same TOSOH CORPORATION (JP) 2012-03-20 US disclosed
US-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME TOSOH CORPORATION (JP) 2009-10-22 US disclosed
US-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME TOSOH CORPORATION (JP) 2009-10-22 US 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-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME AS3MT, TERT, TEAD1 NPC1 3762/4885POLB 1296/4885RAB9A 2564/4885

“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.