SCHEMBL1616773

SCHEMBL1616773

Cc1c(OCBr)cccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.58
TSHR P16473 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
RECQL P46063 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 6/20 0.47
HTT P42858 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL1141627 0.85 TDP1 (0.60) TDP1TSHRSMN1; SMN2RECQLNPC1
SCHEMBL30072726 0.85 TDP1 (0.60) TDP1TSHRSMN1; SMN2RECQLNPC1
SCHEMBL2307746 0.82 RAB9A (0.72) TDP1SMN1; SMN2RECQLNPC1RAB9A
SCHEMBL26132980 0.82 RAB9A (0.57) TDP1TSHRSMN1; SMN2RECQLNPC1
SCHEMBL10263950 0.81 NPC1 (0.56) TDP1TSHRSMN1; SMN2RECQLNPC1
SCHEMBL8489668 0.81 NPC1 (0.56) TDP1TSHRSMN1; SMN2RECQLNPC1
SCHEMBL9507212 0.81 TDP1 (0.55) TDP1TSHRSMN1; SMN2RECQLNPC1
SCHEMBL310065 0.81 NPC1 (0.56) TDP1TSHRSMN1; SMN2RECQLNPC1
SCHEMBL29229957 0.80 TDP1 (0.69) TDP1TSHRSMN1; SMN2RECQLNPC1
SCHEMBL1141905 0.80 TDP1 (0.65) TDP1TSHRSMN1; SMN2RECQLNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314111-B2 Fused bicyclic motor inhibitors OSI Pharmaceuticals, LLC (US) 2012-11-20 US disclosed
US-20110218183-A1 Fused Bicyclic mTOR Inhibitors OSI Pharmaceuticals, LLC 2011-09-08 US disclosed
US-20110190496-A1 FUSED BICYCLIC mTOR INHIBITORS OSI PHARMACEUTICALS, INC. 2011-08-04 US disclosed
US-7923555-B2 Fused bicyclic mTor inhibitors OSI PHARMACEUTICALS, INC. (US) 2011-04-12 US disclosed
US-20090163468-A1 Fused Bicyclic mTor Inhibitors OSI PHARMACEUTICALS, INC. 2009-06-25 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-20090163468-A1 Fused Bicyclic mTor Inhibitors MTOR, RICTOR, MAPKAP1 TDP1 4225/4885TSHR 4403/4885SMN1; SMN2 2973/4885
US-20110190496-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 TDP1 4225/4885TSHR 4403/4885SMN1; SMN2 2973/4885
US-20110218183-A1 Fused Bicyclic mTOR Inhibitors MTOR, RICTOR, MAPKAP1 TDP1 4225/4885TSHR 4403/4885SMN1; SMN2 2973/4885

“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.