SCHEMBL12145673

SCHEMBL12145673

c1ccc(-c2nc3ccccc3c3nccn23)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
ALDH1A1 P00352 5/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ADORA3 P0DMS8 1/20 0.51
ADORA1 P30542 1/20 0.51
PDPK1 O15530 1/20 0.50
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 2/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
CASR P41180 1/20 0.43

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
SCHEMBL19528104 0.82 POLB (0.44) POLBALDH1A1HPGDKDM4EADORA3
SCHEMBL12145651 0.81 KDM4E (0.51) POLBALDH1A1HPGDKDM4ETSHR
SCHEMBL7328377 0.77 MAOA (0.44) POLBALDH1A1HPGDKDM4EADORA3
SCHEMBL87054 0.77 ADORA2A (0.49) POLBALDH1A1HPGDKDM4EADORA3
Bromide SCHEMBL80836 0.76 ADORA2A (0.48) POLBALDH1A1HPGDKDM4EADORA3
SCHEMBL12145363 0.75 PDE3B (0.41) POLBALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL9659892 0.73 LMNA (0.47) POLBALDH1A1HPGDKDM4EADORA3
SCHEMBL12145232 0.73 PTAFR (0.58) POLBALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL14359932 0.73 ABL1 (0.44) POLBALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL11417540 0.73 MAPK8 (0.55) POLBALDH1A1HPGDKDM4EKMT2A

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-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 US disclosed
US-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 US disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
WO-2010086089-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2010-08-05 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-20110284799-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 POLB 1266/4885ALDH1A1 3721/4885HPGD 3882/4885

“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.