SCHEMBL1090650

SCHEMBL1090650

CC(=O)c1cc(C(C)C)on1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 18/20 0.55
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
ALDH1A1 P00352 4/20 0.55
TP53 P04637 3/20 0.55
GAA P10253 1/20 0.55
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 1/20 0.53
TSHR P16473 1/20 0.51
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
CYP2D6 P10635 1/20 0.49
PKM P14618 1/20 0.47

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
SCHEMBL313667 0.83 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL9173573 0.81 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL19328898 0.81 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL2789722 0.81 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL13430874 0.78 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL26523800 0.77 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL11714946 0.75 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL11119241 0.74 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL23507422 0.74 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL1090847 0.74 THRB (0.59) SMN1; SMN2NPC1RAB9AALDH1A1TP53

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-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. 2024-01-25 US disclosed
US-11873290-B2 2024-01-16 US disclosed
US-11873290-B2 2024-01-16 US disclosed
US-11091464-B2 Pyridazinone compounds and uses thereof EDGEWISE THERAPEUTICS, INC. (US) 2021-08-17 US disclosed
US-20210188814-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-06-24 US disclosed
US-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US disclosed
US-20120309750-A1 5-MEMBERED HETEROCYCLE DERIVATIVES AND MANUFACTURING PROCESS THEREOF ILDONG PHARM CO., LTD. (KR) 2012-12-06 US disclosed
US-8153626-B2 Substituted diazepine sulfonamides as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-04-10 US disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-20100317645-A1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-1 MODULATORS MERCK SHARP & DOHME LLC 2010-12-16 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 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 (8 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-20210188814-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF IL6, IL1B, IL1A SMN1; SMN2 9/4885NPC1 4205/4885RAB9A 3148/4885
US-11873290-B2 IL6, MUSK, IL6ST SMN1; SMN2 7/4885NPC1 4167/4885RAB9A 3240/4885
US-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE PDE3A, PDE2A, PDE5A SMN1; SMN2 1733/4885NPC1 3027/4885RAB9A 1738/4885
US-20100317645-A1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-1 MODULATORS BRS3, BRSK1, BRSK2 SMN1; SMN2 1264/4885NPC1 2162/4885RAB9A 2478/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 SMN1; SMN2 2946/4885NPC1 48/4885RAB9A 1216/4885
US-11091464-B2 Pyridazinone compounds and uses thereof IL6, IL1B, IL1A SMN1; SMN2 9/4885NPC1 4205/4885RAB9A 3148/4885
US-20120309750-A1 5-MEMBERED HETEROCYCLE DERIVATIVES AND MANUFACTURING PROCESS THEREOF CYP3A5, UGT2B7, UGT1A7 SMN1; SMN2 1687/4885NPC1 2151/4885RAB9A 740/4885
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF IL6, IL1B, IL1A SMN1; SMN2 9/4885NPC1 4205/4885RAB9A 3148/4885

“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.