SCHEMBL27441946

SCHEMBL27441946

OBc1ccc(Cn2cnc3c(O)cccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 6/20 0.44
▸ CYP11B2 P19099 6/20 0.44
▸ HTT P42858 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TNF P01375 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ NR1H4 Q96RI1 5/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL22533835 0.81 CYP11B1 (0.41) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL22547863 0.79 FGFR1 (0.43) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL22533730 0.78 PNP (0.50) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL22547180 0.74 HTR2C (0.48) EGLN1
SCHEMBL22533846 0.73 NR1H4 (0.41) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL12894977 0.72 HTR2A (0.40) SMN1; SMN2LMNABRD4TSHRALDH1A1
SCHEMBL3245588 0.68 TLR8 (0.49) LMNATSHRALDH1A1KDM4E
SCHEMBL22547166 0.68 MEN1 (0.51) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL7672864 0.67 CYP11B1 (0.75) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL17596372 0.67 CYP11B1 (0.55) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors RIBOSCIENCE LLC (US) 2024-07-09 — — 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-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors ENPP1, ENPP3, SMPD1 CYP11B1 127/4885CYP11B2 166/4885HTT 3278/4885

“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.

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