SCHEMBL4033216

SCHEMBL4033216

CCCc1cc(C(C)=O)no1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.60
RAB9A P51151 12/20 0.58
HPGD P15428 2/20 0.58
NPC1 O15118 8/20 0.57
MAPK1 P28482 3/20 0.57
ALDH1A1 P00352 3/20 0.54
S1PR1 P21453 2/20 0.54
S1PR3 Q99500 2/20 0.54
POLB P06746 1/20 0.54
TSHR P16473 1/20 0.54
XBP1 P17861 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PKM P14618 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
SCHEMBL4030288 0.89 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AHPGDNPC1MAPK1
SCHEMBL4024862 0.87 PPARA (0.56) SMN1; SMN2RAB9AHPGDNPC1MAPK1
SCHEMBL4033814 0.86 PPARA (0.58) SMN1; SMN2RAB9AHPGDNPC1MAPK1
SCHEMBL3771944 0.85 RAB9A (0.58) SMN1; SMN2RAB9AHPGDNPC1MAPK1
SCHEMBL10520054 0.85 RAB9A (0.46) SMN1; SMN2RAB9AHPGDNPC1MAPK1
SCHEMBL9593485 0.83 RAB9A (0.57) SMN1; SMN2RAB9AHPGDNPC1MAPK1
SCHEMBL21939050 0.80 RAB9A (0.66) SMN1; SMN2RAB9AHPGDNPC1MAPK1
SCHEMBL20020277 0.80 RAB9A (0.54) SMN1; SMN2RAB9AHPGDNPC1MAPK1
SCHEMBL2328124 0.80 NOTUM (0.43) SMN1; SMN2RAB9AHPGDNPC1MAPK1
SCHEMBL15931414 0.79 HPGD (0.58) SMN1; SMN2RAB9AHPGDNPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247288-A1 Method for manufacturing isoxazole derivative or dihydroisoxazole derivative GAKUIN, RIKKYO (JP) 2006-11-02 US claimed
US-12024493-B2 Isoxazole hydroxamic acids as histone deacetylase 6 inhibitors THE GEORGE WASHINGTON UNIVERSITY, A CONGRESSIONALLY CHARTERED NOT-FOR-PROFIT CORPORATION (US) 2024-07-02 US disclosed
EP-1937264-B1 COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE MERCK SHARP & DOHME (US) 2011-06-08 EP disclosed
US-7893091-B2 Combination therapy for the treatment of urinary frequency, urinary urgency and urinary incontinence MERCK SHARP & DOHME CORP. (US) 2011-02-22 US disclosed
US-7893091-B2 Combination therapy for the treatment of urinary frequency, urinary urgency and urinary incontinence MERCK SHARP & DOHME CORP. (US) 2011-02-22 US disclosed
US-20090270406-A1 Combination Therapy for the Treatment of Urinary Frequency, Urinary Urgency and Urinary Incontinence MERCK SHARP & DOHME CORP. 2009-10-29 US disclosed
US-20090270406-A1 Combination Therapy for the Treatment of Urinary Frequency, Urinary Urgency and Urinary Incontinence MERCK SHARP & DOHME CORP. 2009-10-29 US disclosed
US-7495107-B2 Method for manufacturing isoxazole derivative or dihydroisoxazole derivative RIKKYO GAKUIN (JP) 2009-02-24 US disclosed
US-7468437-B2 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2008-12-23 US disclosed
US-7468437-B2 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2008-12-23 US disclosed
WO-2007044296-A2 COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE MERCK & CO., INC. (US) 2007-04-19 WO disclosed
US-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-02-22 US disclosed
US-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-02-22 US disclosed
US-20060247288-A1 Method for manufacturing isoxazole derivative or dihydroisoxazole derivative GAKUIN, RIKKYO (JP) 2006-11-02 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 (4 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-20060247288-A1 Method for manufacturing isoxazole derivative or dihydroisoxazole derivative CYP3A7, NDUFS7, IDH3A SMN1; SMN2 4090/4885RAB9A 4172/4885HPGD 689/4885
US-12024493-B2 Isoxazole hydroxamic acids as histone deacetylase 6 inhibitors HDAC1, HDAC7, HDAC5 SMN1; SMN2 1895/4885RAB9A 3328/4885HPGD 161/4885
US-20090270406-A1 Combination Therapy for the Treatment of Urinary Frequency, Urinary Urgency and Urinary Incontinence MME, UTS2R, BPHL SMN1; SMN2 2070/4885RAB9A 3885/4885HPGD 288/4885
US-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists TACR1, NPSR1, TACR2 SMN1; SMN2 4061/4885RAB9A 4258/4885HPGD 1462/4885

“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.