SCHEMBL20914432

SCHEMBL20914432

O=C(O)c1ccccc1-c1cc(Cc2ncccn2)cc(-c2ccccc2C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 5/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN1 P18031 2/20 0.43
FOLH1 Q04609 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN6 P29350 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
DHODH Q02127 4/20 0.41
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL20914391 0.86 LMNA (0.51) BRS3NPC1RAB9ASMN1; SMN2PTPN1
SCHEMBL30285187 0.83 SLC6A3 (0.50) BRS3KDM4ETDP1
SCHEMBL19513139 0.83 SLC6A3 (0.50) BRS3KDM4ETDP1
SCHEMBL20914560 0.81 DHODH (0.48) BRS3NPC1RAB9ASMN1; SMN2DHODH
SCHEMBL20914513 0.80 BRS3 (0.44) BRS3NPC1RAB9ASMN1; SMN2CYP4F2
SCHEMBL139845 0.79 ALDH1A1 (0.59) NPC1RAB9ASMN1; SMN2FOLH1ALDH1A1
SCHEMBL30047867 0.79 ALDH1A1 (0.59) NPC1RAB9ASMN1; SMN2FOLH1ALDH1A1
SCHEMBL20914631 0.78 MEN1 (0.43) BRS3NPC1RAB9ASMN1; SMN2DHODH
SCHEMBL297475 0.76 FOLH1 (0.49) BRS3NPC1RAB9ASMN1; SMN2PTPN1
SCHEMBL20914581 0.76 BRS3 (0.48) BRS3NPC1RAB9AALDH1A1KDM4E

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-10696635-B2 Versatile ligand for palladium-catalyzed meta-C—H functionalizations of aromatic substrates THE SCRIPPS RESEARCH INSTITUTE (US) 2020-06-30 US disclosed
US-20190119212-A1 A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS THE SCRIPPS RESEARCH INSTITUTE 2019-04-25 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 (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-20190119212-A1 A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS AHR, PAH, DOHH BRS3 1633/4885NPC1 3798/4885RAB9A 2426/4885
US-10696635-B2 Versatile ligand for palladium-catalyzed meta-C—H functionalizations of aromatic substrates PAH, AHR, DDC BRS3 1943/4885NPC1 3848/4885RAB9A 2261/4885

“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.