SCHEMBL17050820

SCHEMBL17050820

Cc1nc2ccc(Oc3ccc(Br)cn3)cc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
THRB P10828 1/20 0.43
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
MEN1 O00255 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 6/20 0.40
APP P05067 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 3/20 0.39
HSD17B10 Q99714 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 3/20 0.39
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL25260720 0.84 RAB9A (0.57) L3MBTL1SMN1; SMN2THRBNPC1RAB9A
SCHEMBL31114515 0.84 RAB9A (0.57) L3MBTL1SMN1; SMN2THRBNPC1RAB9A
SCHEMBL29875298 0.75 SMN1; SMN2 (0.61) TDP1L3MBTL1KMT2ASMN1; SMN2NPC1
SCHEMBL33267 0.75 SMN1; SMN2 (0.61) TDP1L3MBTL1KMT2ASMN1; SMN2NPC1
SCHEMBL202432 0.73 TDP1 (1.00) TDP1L3MBTL1KMT2ASMN1; SMN2NPC1
SCHEMBL422166 0.72 CYP1A2 (0.67) TDP1L3MBTL1KMT2ASMN1; SMN2NPC1
SCHEMBL8332212 0.72 KDM4E (0.58) TDP1L3MBTL1KMT2ASMN1; SMN2THRB
SCHEMBL29693760 0.72 KDM4E (0.58) TDP1L3MBTL1KMT2ASMN1; SMN2THRB
SCHEMBL14375385 0.72 TDP1 (0.75) TDP1L3MBTL1KMT2ASMN1; SMN2NPC1
SCHEMBL8261943 0.71 KMT2A (0.69) TDP1L3MBTL1KMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 US disclosed
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 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-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 TDP1 4691/4885L3MBTL1 3849/4885KMT2A 2738/4885

“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.