SCHEMBL12195628

SCHEMBL12195628

Cc1cc(C)c(C(=O)NCC2CCCO2)s1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 11/20 0.59
▸ SMN1; SMN2 Q16637 7/20 0.59
▸ RAB9A P51151 6/20 0.59
▸ NPC1 O15118 4/20 0.59
▸ POLB P06746 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ KMT2A Q03164 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ L3MBTL1 Q9Y468 3/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.56
▸ TP53 P04637 2/20 0.56
▸ MAPT P10636 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ APOBEC3G Q9HC16 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54

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
SCHEMBL279976 0.79 KMT2A (0.67) HPGDSMN1; SMN2RAB9ANPC1POLB
SCHEMBL2759030 0.77 HIF1A (0.72) HPGDSMN1; SMN2RAB9ANPC1POLB
SCHEMBL11818229 0.77 HPGD (0.76) HPGDSMN1; SMN2RAB9ANPC1POLB
SCHEMBL12195828 0.75 NAMPT (0.43) RAB9ANPC1POLBKMT2AMEN1
SCHEMBL17788542 0.75 HPGD (0.69) HPGDSMN1; SMN2RAB9ANPC1POLB
SCHEMBL11918653 0.74 KMT2A (0.86) HPGDSMN1; SMN2RAB9ANPC1POLB
SCHEMBL279957 0.74 KMT2A (0.86) HPGDSMN1; SMN2RAB9ANPC1POLB
SCHEMBL14395933 0.74 KMT2A (0.67) HPGDSMN1; SMN2RAB9ANPC1POLB
SCHEMBL15888632 0.74 HPGD (0.67) HPGDSMN1; SMN2RAB9ANPC1POLB
SCHEMBL12942542 0.73 HPGD (0.64) HPGDSMN1; SMN2RAB9ANPC1POLB

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-9044389-B2 Isoxazoline derivatives as pesticides NOVARTIS TIERGESUNDHEIT AG (CH) 2015-06-02 — — US disclosed
US-20140120147-A1 ISOXAZOLINE DERIVATIVES AS PESTICIDES NOVARTIS AG (CH) 2014-05-01 — — US disclosed
US-8653116-B2 Isoxazoline derivatives as pesticides NOVARTIS AG (CH) 2014-02-18 — — US disclosed
US-20130131053-A1 ISOXAZOLINE DERIVATIVES AS PESTICIDES NOVARTIS TIERGESUNDHEIT AG (CH) 2013-05-23 — — US disclosed
US-8383659-B2 Isoxazoline derivatives as pesticides NOVARTIS AG (CH) 2013-02-26 — — US disclosed
US-20110245239-A1 ORGANIC COMPOUNDS ELANCO TIERGESUNDHEIT AG (CH) 2011-10-06 — — 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 (3 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-20130131053-A1 ISOXAZOLINE DERIVATIVES AS PESTICIDES CYP3A7, ACHE, CYP4X1 HPGD 1492/4885SMN1; SMN2 3187/4885RAB9A 1900/4885
US-20140120147-A1 ISOXAZOLINE DERIVATIVES AS PESTICIDES CYP3A7, ACHE, CYP4X1 HPGD 1492/4885SMN1; SMN2 3187/4885RAB9A 1900/4885
US-20110245239-A1 ORGANIC COMPOUNDS ACHE, VDAC1, VDAC2 HPGD 1666/4885SMN1; SMN2 648/4885RAB9A 3208/4885

“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.

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