SCHEMBL5622388

SCHEMBL5622388

Nc1cccc2c1C[C@@H]1CC[C@H](C2)CN1Cc1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
RORC P51449 4/20 0.34
CYP11B1 P15538 1/20 0.34
ADRA2C P18825 1/20 0.34
CYP11B2 P19099 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SLC18A3 Q16572 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
KCNN4 O15554 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
SCHEMBL5621061 1.00 MBTD1 (0.39) MBTD1L3MBTL3SMN1; SMN2TDP1DRD2
SCHEMBL5622421 0.96 MBTD1 (0.39) MBTD1L3MBTL3SMN1; SMN2TDP1DRD2
SCHEMBL14458399 0.87 GBA1 (0.38) TDP1DRD2DRD3KCNH2PARP1
SCHEMBL14458401 0.86 DRD2 (0.43) MBTD1L3MBTL3SMN1; SMN2TDP1DRD2
SCHEMBL5621353 0.86 DRD2 (0.43) MBTD1L3MBTL3SMN1; SMN2TDP1DRD2
SCHEMBL5621365 0.82 MBTD1 (0.39) MBTD1L3MBTL3SMN1; SMN2TDP1DRD2
SCHEMBL5622054 0.82 MBTD1 (0.35) MBTD1L3MBTL3SMN1; SMN2TDP1DRD2
Hydrochloric Acid SCHEMBL5620603 0.81 MBTD1 (0.35) MBTD1L3MBTL3SMN1; SMN2TDP1DRD2
SCHEMBL5623386 0.78 MBTD1 (0.35) MBTD1L3MBTL3SMN1; SMN2TDP1DRD2
SCHEMBL5622229 0.78 DRD2 (0.44) SMN1; SMN2DRD2DRD3KCNH2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173525-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2007-07-26 US claimed
EP-1496897-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2006-05-10 EP claimed
EP-1496897-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-01-19 EP claimed
WO-2003086395-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-10-23 WO claimed
US-20070173525-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2007-07-26 US disclosed
US-20050239815-A1 Tyrosine kinase inhibitors KIM ANNETTE J 2005-10-27 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 (2 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-20070173525-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 MBTD1 1457/4885L3MBTL3 3894/4885SMN1; SMN2 4434/4885
US-20050239815-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 MBTD1 1457/4885L3MBTL3 3894/4885SMN1; SMN2 4434/4885

“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.