SCHEMBL9930853

SCHEMBL9930853

Cn1c2c(c3ccc(Br)nc31)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
ESR2 Q92731 1/20 0.42
NR1H2 P55055 1/20 0.41
KRAS P01116 1/20 0.41
MKNK1 Q9BUB5 3/20 0.40
MCHR1 Q99705 2/20 0.40
ADORA1 P30542 1/20 0.39
HDAC10 Q969S8 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
MAPT P10636 2/20 0.38
BAZ2B Q9UIF8 1/20 0.38
P2RX3 P56373 1/20 0.37
F12 P00748 2/20 0.37

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
SCHEMBL989533 0.94 DDB1 (0.42) DDB1CRBNHDAC1HDAC6ESR2
SCHEMBL1004761 0.92 DDB1 (0.40) DDB1CRBNHDAC1HDAC6ESR2
SCHEMBL30339918 0.92 DDB1 (0.40) DDB1CRBNHDAC1HDAC6ESR2
SCHEMBL18103981 0.86 DDB1 (0.47) DDB1CRBNHDAC1HDAC6ESR2
SCHEMBL18103943 0.84 DDB1 (0.45) DDB1CRBNHDAC1HDAC6ESR2
SCHEMBL9931576 0.83 MCHR1 (0.43) HDAC1HDAC6MCHR1HDAC10BAZ2B
SCHEMBL3476322 0.80 KRAS (0.51) DDB1CRBNHDAC1HDAC6ESR2
SCHEMBL29983586 0.80 KRAS (0.51) DDB1CRBNHDAC1HDAC6ESR2
SCHEMBL9968753 0.79 MCHR1 (0.42) DDB1CRBNHDAC1MCHR1
SCHEMBL18103922 0.78 BAZ2B (0.43) DDB1CRBNHDAC1HDAC6ESR2

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-20170002005-A1 Carbazole and Carboline Compounds for Use in the Diagnosis, Treatment, Alleviation or Prevention of Disorders Associated with Amyloid or Amyloid-Like Proteins LIFE MOLECULAR IMAGING LIMITED (GB) 2017-01-05 US disclosed
WO-2015110263-A1 CARBAZOLE AND CARBOLINE COMPOUNDS FOR USE IN THE DIAGNOSIS, TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH AMYLOID OR AMYOLID-LIKE PROTEINS AC IMMUNE SA (CH) 2015-07-30 WO disclosed
US-8993765-B2 Tetrahydro-azacarboline MCH-1 antagonists, methods of making, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-31 US disclosed
US-8993765-B2 Tetrahydro-azacarboline MCH-1 antagonists, methods of making, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-31 US disclosed
US-20120157460-A1 TETRAHYDRO-AZACARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-06-21 US disclosed
US-20120157460-A1 TETRAHYDRO-AZACARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-06-21 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-20120157460-A1 TETRAHYDRO-AZACARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF MCHR1, MCHR2, MC5R DDB1 2054/4885CRBN 1947/4885HDAC1 1363/4885
US-20170002005-A1 Carbazole and Carboline Compounds for Use in the Diagnosis, Treatment, Alleviation or Prevention of Disorders Associated with Amyloid or Amyloid-Like Proteins APP, BACE1, PSEN1 DDB1 1823/4885CRBN 101/4885HDAC1 1656/4885

“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.