SCHEMBL4005339

SCHEMBL4005339

Oc1ccc2c(Cl)nccc2c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
CYP3A4 P08684 2/20 0.46
APEX1 P27695 1/20 0.46
MAPK1 P28482 1/20 0.46
PMP22 Q01453 1/20 0.46
POLB P06746 1/20 0.38
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
THRA P10827 6/20 0.35
THRB P10828 6/20 0.35
HIPK2 Q9H2X6 1/20 0.35
KDM4E B2RXH2 4/20 0.34
HSP90AA1 P07900 3/20 0.34
BRD4 O60885 1/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
TLR8 Q9NR97 1/20 0.32

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
SCHEMBL28420326 0.77
SCHEMBL29121551 0.77 LMNA (0.46) LMNAMAPTCYP3A4APEX1MAPK1
SCHEMBL30676603 0.77 LMNA (0.46) LMNAMAPTCYP3A4APEX1MAPK1
SCHEMBL26928380 0.77 LMNA (0.46) LMNAMAPTCYP3A4APEX1MAPK1
SCHEMBL12266517 0.76 LMNA (0.60) LMNAMAPTCYP3A4APEX1MAPK1
SCHEMBL2367630 0.76 POLB (0.56) POLBESR1ESR2THRATHRB
SCHEMBL30081125 0.76 POLB (0.56) POLBESR1ESR2THRATHRB
SCHEMBL31056454 0.74 ERN1 (0.51) LMNAMAPTCYP3A4APEX1MAPK1
SCHEMBL14216852 0.73 MAPK1 (0.42) LMNAMAPTCYP3A4APEX1MAPK1
SCHEMBL2386245 0.73 LMNA (0.42) LMNAMAPTCYP3A4APEX1MAPK1

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
EP-1963304-B2 ISOQUINOLINE DERIVATIVES MSD OSS BV (NL) 2015-05-13 EP disclosed
CN-101321748-B Isoquinoline derivatives ORGANON NV 2013-03-27 CN disclosed
US-7618985-B2 Isoquinoline derivatives N.V. ORGANON (NL) 2009-11-17 US disclosed
EP-1963304-B1 ISOQUINOLINE DERIVATIVES ORGANON NV (NL) 2009-06-24 EP disclosed
CN-101321748-A Isoquinoline derivatives ORGANON NV (NL) 2008-12-10 CN disclosed
EP-1963304-A1 ISOQUINOLINE DERIVATIVES N.V. Organon (NL) 2008-09-03 EP disclosed
WO-2007065916-A1 ISOQUINOLINE DERIVATIVES N.V. ORGANON (NL) 2007-06-14 WO disclosed
US-20070135479-A1 Isoquinoline derivatives N.V. ORGANON (NL) 2007-06-14 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-20070135479-A1 Isoquinoline derivatives ROCK1, ROCK2, RHOA LMNA 1724/4885MAPT 2676/4885CYP3A4 440/4885

“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.