SCHEMBL7833873

SCHEMBL7833873

COc1cc(OC)c(Br)c(C(C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
USP2 O75604 1/20 0.51
HTT P42858 2/20 0.47
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KMT2A Q03164 4/20 0.43
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
NPC1 O15118 1/20 0.41
MAOA P21397 1/20 0.41
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ERN1 O75460 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL15517008 0.85 LCK (0.55) CYP3A4MAPK1SMN1; SMN2USP2HTT
SCHEMBL204076 0.84 GAA (0.48) CYP3A4MAPK1SMN1; SMN2USP2HTT
SCHEMBL18748566 0.81 MAOA (0.44) CYP3A4MAPK1SMN1; SMN2USP2HTT
SCHEMBL27910086 0.81 HMGCR (0.51) CYP3A4MAPK1SMN1; SMN2USP2HTT
SCHEMBL2479612 0.80 HTT (0.46) CYP3A4MAPK1SMN1; SMN2USP2HTT
SCHEMBL28130717 0.80 USP2 (0.39) CYP3A4MAPK1SMN1; SMN2USP2HTT
SCHEMBL10971731 0.79 CYP3A4 (0.53) CYP3A4MAPK1SMN1; SMN2USP2HTT
SCHEMBL5838887 0.79 CYP3A4 (0.58) CYP3A4MAPK1SMN1; SMN2USP2HTT
SCHEMBL10497610 0.79 CYP3A4 (0.53) CYP3A4MAPK1SMN1; SMN2USP2HTT
SCHEMBL1203850 0.77 ALDH1A1 (0.53) CYP3A4MAPK1SMN1; SMN2USP2ALDH1A1

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-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 US disclosed
EP-0783505-B1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 2001-03-07 EP disclosed
US-5869485-A Pyrrolo 2,3-d!pyrimidines and their use NOVARTIS FINANCE CORP. (US) 1999-02-09 US disclosed
EP-0783505-A1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE Novartis AG (CH) 1997-07-16 EP disclosed
WO-1996010028-A1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 1996-04-04 WO 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-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors SERPINE1, PRSS3, PRSS2 CYP3A4 906/4885MAPK1 2467/4885SMN1; SMN2 1864/4885

“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.