SCHEMBL77275

SCHEMBL77275

CC(C)(C)c1noc(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
NPSR1 Q6W5P4 1/20 0.57
NR1H4 Q96RI1 1/20 0.55
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HTT P42858 2/20 0.50
NOTUM Q6P988 2/20 0.49
BRD4 O60885 1/20 0.48
MAPT P10636 3/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CASP3 P42574 1/20 0.47
S1PR1 P21453 3/20 0.45
ALOX15 P16050 1/20 0.45
S1PR5 Q9H228 1/20 0.45

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
SCHEMBL2662661 0.82 NPC1 (0.63) RAB9ANPC1NPSR1NR1H4ALDH1A1
SCHEMBL10202912 0.82 RAB9A (0.56) RAB9ANPC1NPSR1NR1H4ALDH1A1
SCHEMBL77091 0.81 LMNA (0.59) RAB9ANPC1NPSR1NR1H4KDM4E
SCHEMBL26251826 0.80 RAB9A (0.57) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL10094562 0.78 NPC1 (0.59) RAB9ANPC1NPSR1NR1H4ALDH1A1
SCHEMBL10081816 0.78 NPC1 (0.59) RAB9ANPC1NPSR1NR1H4ALDH1A1
SCHEMBL512771 0.78 RAB9A (0.49) RAB9ANPC1NPSR1NR1H4ALDH1A1
SCHEMBL77636 0.77 NR1H4 (0.57) RAB9ANPC1NR1H4ALDH1A1KDM4E
SCHEMBL10263945 0.76 ALDH1A1 (0.59) RAB9ANPC1NPSR1NR1H4ALDH1A1
SCHEMBL21380545 0.76 RAB9A (0.56) RAB9ANPC1NPSR1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
US-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-07-30 US disclosed
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-07-30 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 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-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 RAB9A 3465/4885NPC1 3856/4885NPSR1 4493/4885
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 RAB9A 152/4885NPC1 2834/4885NPSR1 786/4885

“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.