SCHEMBL16894063

SCHEMBL16894063

Nc1ccc2oc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)nc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 15/20 0.72
NPC1 O15118 14/20 0.72
GFER P55789 4/20 0.72
RXFP1 Q9HBX9 2/20 0.72
PIK3CB P42338 1/20 0.67
MAPT P10636 10/20 0.65
KDM4E B2RXH2 8/20 0.65
SMN1; SMN2 Q16637 7/20 0.65
TP53 P04637 7/20 0.65
ALDH1A1 P00352 6/20 0.65
HSD17B10 Q99714 5/20 0.65
NFKB1 P19838 2/20 0.65
NFKB2 Q00653 2/20 0.65
RELA Q04206 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
CASP3 P42574 1/20 0.60
HDAC3 O15379 1/20 0.58
HDAC1 Q13547 1/20 0.58

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
SCHEMBL2247289 0.99 RAB9A (0.74) RAB9ANPC1GFERRXFP1PIK3CB
SCHEMBL31696797 0.88 RAB9A (0.93) RAB9ANPC1GFERRXFP1PIK3CB
SCHEMBL17199136 0.87 NPC1 (0.74) RAB9ANPC1GFERRXFP1PIK3CB
SCHEMBL30296348 0.86 RAB9A (0.96) RAB9ANPC1GFERRXFP1PIK3CB
SCHEMBL2488592 0.86 RAB9A (0.96) RAB9ANPC1GFERRXFP1PIK3CB
SCHEMBL1852701 0.85 RAB9A (1.00) RAB9ANPC1GFERRXFP1PIK3CB
SCHEMBL29404722 0.85 RAB9A (1.00) RAB9ANPC1GFERRXFP1PIK3CB
SCHEMBL5376393 0.84 RAB9A (1.00) RAB9ANPC1GFERRXFP1PIK3CB
SCHEMBL2244350 0.83 NPC1 (0.65) RAB9ANPC1GFERRXFP1PIK3CB
SCHEMBL25026542 0.83 HDAC3 (0.60) RAB9ANPC1GFERRXFP1MAPT

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-9447054-B2 Anticancer supplement agent including benzo[D]oxazol derivative as effective ingredient KOREA INSTITUTE OF RADIOLOGICAL & MEDICAL SCIENCES (KR) 2016-09-20 US claimed
US-20150197498-A1 ANTICANCER SUPPLEMENT AGENT INCLUDING BENZO[D]OXAZOL DERIVATIVE AS EFFECTIVE INGREDIENT KOREA INSTITUTE OF RADIOLOGICAL & MEDICAL SCIENCES (KR) 2015-07-16 US claimed
US-9447054-B2 Anticancer supplement agent including benzo[D]oxazol derivative as effective ingredient KOREA INSTITUTE OF RADIOLOGICAL & MEDICAL SCIENCES (KR) 2016-09-20 US disclosed
US-9447054-B2 Anticancer supplement agent including benzo[D]oxazol derivative as effective ingredient KOREA INSTITUTE OF RADIOLOGICAL & MEDICAL SCIENCES (KR) 2016-09-20 US disclosed
US-9447054-B2 Anticancer supplement agent including benzo[D]oxazol derivative as effective ingredient KOREA INSTITUTE OF RADIOLOGICAL & MEDICAL SCIENCES (KR) 2016-09-20 US disclosed
US-20150197498-A1 ANTICANCER SUPPLEMENT AGENT INCLUDING BENZO[D]OXAZOL DERIVATIVE AS EFFECTIVE INGREDIENT KOREA INSTITUTE OF RADIOLOGICAL & MEDICAL SCIENCES (KR) 2015-07-16 US disclosed
US-20150197498-A1 ANTICANCER SUPPLEMENT AGENT INCLUDING BENZO[D]OXAZOL DERIVATIVE AS EFFECTIVE INGREDIENT KOREA INSTITUTE OF RADIOLOGICAL & MEDICAL SCIENCES (KR) 2015-07-16 US disclosed
US-20150197498-A1 ANTICANCER SUPPLEMENT AGENT INCLUDING BENZO[D]OXAZOL DERIVATIVE AS EFFECTIVE INGREDIENT KOREA INSTITUTE OF RADIOLOGICAL & MEDICAL SCIENCES (KR) 2015-07-16 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-20150197498-A1 ANTICANCER SUPPLEMENT AGENT INCLUDING BENZO[D]OXAZOL DERIVATIVE AS EFFECTIVE INGREDIENT NFE2L2, KEAP1, OXA1L RAB9A 3858/4885NPC1 3193/4885GFER 1479/4885

“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.