SCHEMBL6502190

SCHEMBL6502190

Cc1nccc(C=CO)n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 9/20 0.59
HDAC6 Q9UBN7 1/20 0.34
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
KDR P35968 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL6627221 0.83
SCHEMBL20860587 0.81 GRM4 (0.61) GRM4HDAC6KDM4EALDH1A1HPGD
SCHEMBL17053108 0.77 GRM4 (0.57) GRM4HDAC6KDM4EALDH1A1RAB9A
SCHEMBL25170582 0.77 GRM4 (0.57) GRM4HDAC6KDM4EALDH1A1RAB9A
SCHEMBL30404869 0.77 GRM4 (0.57) GRM4HDAC6KDM4EALDH1A1RAB9A
SCHEMBL22917316 0.76 GRM4 (0.56) GRM4HDAC6KDM4EALDH1A1HPGD
SCHEMBL31029406 0.76 GRM4 (0.56) GRM4HDAC6KDM4EALDH1A1HPGD
SCHEMBL20069379 0.76 GRM4 (0.51) GRM4HDAC6KDM4ENPC1RAB9A
SCHEMBL25403351 0.76
SCHEMBL33532921 0.75 GRM4 (0.54) GRM4HDAC6KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192339-A1 Compounds BIOVITRUM AB (SE) 2005-09-01 US claimed
US-20050192339-A1 Compounds BIOVITRUM AB (SE) 2005-09-01 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 (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-20050192339-A1 Compounds MCHR1, HCRTR1, NPY1R GRM4 776/4885HDAC6 1335/4885KDM4E 3740/4885

“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.