SCHEMBL8976572

SCHEMBL8976572

O=c1nc[nH]c2cc3c(cc12)OCO3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR1E P28566 1/20 0.41
HTR1F P30939 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
HTR3A P46098 1/20 0.41
HTR5A P47898 1/20 0.41
HTR6 P50406 1/20 0.41
HTR4 Q13639 1/20 0.41
HTR3D Q70Z44 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
SCHEMBL29616447 1.00 NPC1 (0.41) NPC1MAPTRAB9ASMN1; SMN2HTR3E
SCHEMBL1091693 0.74 QPCT (0.51) NPC1MAPTRAB9ASMN1; SMN2QPCT
SCHEMBL29408377 0.74 QPCT (0.51) NPC1MAPTRAB9ASMN1; SMN2QPCT
Hydrochloric Acid SCHEMBL9836827 0.73 QPCT (0.50) NPC1MAPTRAB9ASMN1; SMN2QPCT
SCHEMBL7662579 0.72 PIK3CD (0.48) SMN1; SMN2
SCHEMBL4565100 0.71 BCL2 (0.44) MAPTSMN1; SMN2QPCTKDM4E
SCHEMBL22962863 0.71 PARP1 (0.41) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3429702 0.71 MAPT (0.43) MAPTSMN1; SMN2
SCHEMBL8934855 0.71 MAPT (0.53) MAPTSMN1; SMN2KDM4E
SCHEMBL239399 0.70 ALDH1A1 (0.49) NPC1KDM4EMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022091048-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 WO disclosed
US-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 US disclosed
US-5580870-A ANTICARCINOGENIC AGENTS ZENECA LIMITED (GB) 1996-12-03 US disclosed
EP-0602851-B1 Quinazoline derivatives ZENECA LTD (GB) 1996-10-09 EP disclosed
EP-0602851-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1994-06-22 EP 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-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, ENPP2 NPC1 1617/4885MAPT 4432/4885RAB9A 1083/4885

“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.