SCHEMBL89710

SCHEMBL89710

COCCCOc1cc(CBr)cc(OC)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 8/20 0.39
MAPT P10636 7/20 0.39
HPGD P15428 6/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP3A4 P08684 1/20 0.35
PRSS1 P07477 2/20 0.34
ALDH1A1 P00352 1/20 0.34
REN P00797 3/20 0.34
L3MBTL4 Q8NA19 1/20 0.33

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
SCHEMBL88770 0.86 PTGS2 (0.48) L3MBTL1MAPTHPGDNPC1RAB9A
SCHEMBL90116 0.85 ALOX15 (0.39) L3MBTL1MAPTHPGDNPC1RAB9A
SCHEMBL1911337 0.85 SPIN1 (0.41) L3MBTL1MAPTHPGDNPC1RAB9A
SCHEMBL3397035 0.83 CA2 (0.43) MEN1KMT2ARXFP1CYP3A4ALDH1A1
SCHEMBL1039963 0.81 REN (0.48) L3MBTL1MAPTHPGDNPC1RAB9A
SCHEMBL3979694 0.78 TSHR (0.41) L3MBTL1MAPTHPGDNPC1RAB9A
SCHEMBL89209 0.76 ALDH1A1 (0.51) L3MBTL1TDP1CYP1A2CYP2C19LMNA
SCHEMBL3081718 0.75 SLC6A4 (0.50) L3MBTL1MAPTHPGDNPC1RAB9A
SCHEMBL89284 0.74 ALDH1A1 (0.39) L3MBTL1CYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL17447209 0.74 CA2 (0.39) MAPTNPC1TDP1MAPK1LMNA

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-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 L3MBTL1 3031/4885MAPT 1089/4885HPGD 723/4885

“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.