SCHEMBL3465859

SCHEMBL3465859

C[C](C)c1ccnc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.39
KDM1A O60341 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
AR P10275 3/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
KDM4E B2RXH2 4/20 0.33
KDM4C Q9H3R0 4/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM6B O15054 2/20 0.33
KDM5C P41229 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
KDM3A Q9Y4C1 2/20 0.33
TET3 O43151 1/20 0.33
KDM4A O75164 1/20 0.33
BBOX1 O75936 1/20 0.33
MAPT P10636 1/20 0.33
KDM5A P29375 1/20 0.33
ASPH Q12797 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
SCHEMBL30595888 0.83 KDM1A (0.44) IDO1KDM1AHDAC1HDAC6AR
SCHEMBL5700471 0.83 IDO1 (0.37) IDO1KDM1AHDAC1HDAC6AR
SCHEMBL3466541 0.83 IDO1 (0.41) IDO1KDM1AHDAC1HDAC6AR
SCHEMBL220172 0.83 KDM1A (0.44) IDO1KDM1AHDAC1HDAC6AR
Bromide SCHEMBL6203968 0.81 KDM1A (0.42) IDO1KDM1AHDAC1HDAC6AR
SCHEMBL27827224 0.79 AR (0.40) IDO1KDM1AHDAC1HDAC6AR
SCHEMBL28786825 0.77 LMNA (0.47) IDO1KDM1AHDAC1HDAC6AR
SCHEMBL3466469 0.77 AR (0.38) IDO1KDM1AHDAC1HDAC6AR
SCHEMBL3124147 0.77 KDM1A (0.40) IDO1KDM1AHDAC1HDAC6AR
SCHEMBL25524262 0.77 KDM1A (0.40) IDO1KDM1AHDAC1HDAC6AR

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-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 IDO1 166/4885KDM1A 597/4885HDAC1 66/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 IDO1 55/4885KDM1A 3501/4885HDAC1 872/4885

“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.