SCHEMBL5322133

SCHEMBL5322133

COC(=O)c1[nH]c(C)c(C)c1C=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.51
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 7/20 0.42
NPC1 O15118 5/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL15330789 0.85 NPSR1 (0.51) NPSR1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL12531935 0.78 CYP1A2 (0.64) NPSR1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL11282667 0.75 NPSR1 (0.52) NPSR1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL7256405 0.75 NPSR1 (0.79) NPSR1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL14129601 0.73 NPSR1 (0.50) NPSR1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL4804422 0.73 SMN1; SMN2 (0.68) NPSR1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL16506763 0.73 NPSR1 (0.50) NPSR1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL24761236 0.73 MEN1 (0.41) NPSR1ALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL9737749 0.73 SMN1; SMN2 (0.38) NPSR1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL7482811 0.72 NPSR1 (0.62) NPSR1MAPTALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-1254907-B1 PYRROLOPYRIDAZINE COMPOUND SANKYO CO (JP) 2007-05-09 EP disclosed
US-6734181-B2 GASTRIC ACID SECRETORY INHIBITION ACTIVITY, GASTRIC MUCOUS MEMBRANE PROTECTION ACTIVITY; TREATMENT OF ULCERS AND HELICOBACTER PYLORI INFECIONS SANKYO COMPANY, LIMITED (JP) 2004-05-11 US disclosed
US-20040014762-A1 Pyrrolopyridazine compounds SANKYO COMPANY, LIMITED (JP) 2004-01-22 US disclosed
US-6670360-B2 Antiulcer, antibacterial activity against Helicobacter pylori SANKYO COMPANY, LIMITED (JP) 2003-12-30 US disclosed
EP-1186607-B1 OPTICALLY ACTIVE PYRROLOPYRIDAZINE COMPOUNDS SANKYO CO (JP) 2003-05-21 EP disclosed
EP-0742218-B1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO CO (JP) 2002-12-04 EP disclosed
EP-1254907-A1 PYRROLOPYRIDAZINE COMPOUND Sankyo Company, Limited (JP) 2002-11-06 EP disclosed
US-20020156079-A1 Optically active pyrrolopyridazine derivatives SANKYO COMPANY, LIMITED (JP) 2002-10-24 US disclosed
EP-1186607-A1 OPTICALLY ACTIVE PYRROLOPYRIDAZINE COMPOUNDS Sankyo Company, Limited (JP) 2002-03-13 EP disclosed
US-6063782-A Pyrrolopyridazine derivatives SANKYO COMPANY, LIMITED (JP) 2000-05-16 US disclosed
EP-0742218-A1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO COMPANY LIMITED (JP) 1996-11-13 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 (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-20020156079-A1 Optically active pyrrolopyridazine derivatives GIPR, HRH2, PGA5 NPSR1 2370/4885MAPT 4805/4885ALDH1A1 74/4885
US-20040014762-A1 Pyrrolopyridazine compounds HRH2, ADH1C, GIPR NPSR1 3769/4885MAPT 4872/4885ALDH1A1 25/4885

“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.