SCHEMBL7350331

SCHEMBL7350331

CC(=O)Nc1cccc(OC=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TSHR P16473 1/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
AHR P35869 1/20 0.51
POLB P06746 1/20 0.50
NR4A1 P22736 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CRHBP P24387 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL11083773 0.85 ALDH1A1 (0.60) MTNR1BRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL15036515 0.82 LMNA (0.48) MTNR1AMTNR1BSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL15036513 0.82 LMNA (0.48) MTNR1AMTNR1BRAB9ASMN1; SMN2ALDH1A1
SCHEMBL171425 0.81 MTNR1A (0.79) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL14338249 0.81 MTNR1B (0.69) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL29875454 0.81 MTNR1A (0.79) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL13488649 0.81 MTNR1A (0.59) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL29955509 0.80 SMN1; SMN2 (0.62) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL16215583 0.79 MTNR1A (0.58) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL359762 0.79 MEN1 (0.71) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110256092-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2011-10-20 US disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 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-20110256092-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L MTNR1A 933/4885MTNR1B 876/4885RAB9A 2538/4885

“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.