SCHEMBL9934288

SCHEMBL9934288

CNC(=O)CCOc1nc(C)[c]c(C)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.33
MTNR1B P49286 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDK2 Q15119 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
RAB9A P51151 3/20 0.31
NPC1 O15118 2/20 0.31
TP53 P04637 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31
RXRA P19793 2/20 0.31
RXRB P28702 2/20 0.31
RXRG P48443 2/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31

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
SCHEMBL9933895 0.90 PDE3B (0.41) MTNR1AMTNR1BLMNAPOLBPDK2
SCHEMBL9935623 0.81 MTNR1A (0.33) MTNR1AMTNR1BLMNAPOLBSMN1; SMN2
SCHEMBL9933471 0.81 HTT (0.33) SMN1; SMN2L3MBTL1HTTRXRARXRB
SCHEMBL9935627 0.74 PDE3B (0.39) MTNR1AMTNR1BPOLBPDK2PDE3B
SCHEMBL9936236 0.73 SMN1; SMN2 (0.60) MTNR1AMTNR1BLMNASMN1; SMN2L3MBTL1
SCHEMBL9933753 0.72 SLC29A1 (0.40) KMT2AHTTALDH1A1
SCHEMBL15611291 0.68 L3MBTL1 (0.39) SMN1; SMN2L3MBTL1RAB9ANPC1KMT2A
SCHEMBL20234293 0.66 L3MBTL1 (0.66) POLBL3MBTL1RAB9ANPC1TP53
SCHEMBL22787027 0.65 LMNA (0.50) LMNAPOLBSMN1; SMN2PDK2KMT2A
SCHEMBL23008849 0.63 LMNA (0.59) LMNASMN1; SMN2L3MBTL1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP disclosed
EP-2495238-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-09-05 EP disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 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 (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-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 MTNR1A 318/4885MTNR1B 509/4885LMNA 4218/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 MTNR1A 351/4885MTNR1B 747/4885LMNA 4435/4885

“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.