SCHEMBL6077917

SCHEMBL6077917

Clc1ccc(-c2csnn2)c(CBr)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
IDH1 O75874 1/20 0.37
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 3/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
NPC1 O15118 2/20 0.34
POLB P06746 2/20 0.34
NOTUM Q6P988 1/20 0.34
CYP1A2 P05177 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
HIF1A Q16665 2/20 0.33
AGTR1 P30556 1/20 0.33
SLC22A1 O15245 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
SCHEMBL6079066 0.84 CYP2A6 (0.41) LMNAIDH1KMT2AMEN1SMN1; SMN2
SCHEMBL20354123 0.84 IDH1 (0.40) LMNAIDH1KMT2AMEN1SMN1; SMN2
SCHEMBL17295811 0.79 LMNA (0.59) LMNAIDH1KMT2AMEN1SMN1; SMN2
SCHEMBL5855543 0.77 LMNA (0.61) LMNAKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL16753246 0.77 LMNA (0.43) LMNAKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL6077078 0.76 NOTUM (0.45) LMNAIDH1KMT2AMEN1SMN1; SMN2
SCHEMBL17661873 0.75 LMNA (0.39) LMNAIDH1KMT2AMEN1SMN1; SMN2
SCHEMBL19096790 0.72 LMNA (0.39) LMNAIDH1KMT2AMEN1SMN1; SMN2
SCHEMBL13917246 0.72 LMNA (0.42) LMNAKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL6077459 0.67 CRHR1 (0.32) LMNAKMT2AMEN1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144899-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-12-05 US disclosed
US-20040073025-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2004-04-15 US disclosed
WO-2002064559-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 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-20040073025-A1 Thrombin inhibitors F2, F11, F10 LMNA 1769/4885IDH1 3597/4885KMT2A 3124/4885

“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.