SCHEMBL15317698

SCHEMBL15317698

CC(C)(C)c1ccc(C(=O)N2CCCCC2CO)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 1/20 0.53
HPGD P15428 3/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
SPHK2 Q9NRA0 2/20 0.48
MITF O75030 1/20 0.48
RAB9A P51151 1/20 0.47
MET P08581 1/20 0.47
POLB P06746 2/20 0.47
ALOX15 P16050 1/20 0.47
PDK2 Q15119 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
SCHEMBL15317699 0.96 MEN1 (0.52) NPC1L1HPGDGAASMN1; SMN2MEN1
SCHEMBL15317709 0.90 NAMPT (0.55) NPC1L1HPGDGAASMN1; SMN2MEN1
SCHEMBL10194844 0.85 GAA (0.56) HPGDGAAALDH1A1SPHK2POLB
SCHEMBL2743502 0.84 MET (0.62) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL2743500 0.84 MET (0.62) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL17886787 0.84 MEN1 (0.51) HPGDGAASMN1; SMN2MEN1KMT2A
SCHEMBL15317687 0.84 GAA (0.47) NPC1L1HPGDGAASMN1; SMN2MEN1
SCHEMBL15317694 0.82 POLB (0.54) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL17600741 0.81 SPHK2 (0.59) HPGDGAAMEN1KMT2ASPHK2
SCHEMBL17600738 0.81 SPHK2 (0.59) HPGDGAAMEN1KMT2ASPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 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 (1 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-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 NPC1L1 1301/4885HPGD 1495/4885GAA 3322/4885

“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.