SCHEMBL19498014

SCHEMBL19498014

CCn1ncc(Br)c1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MITF O75030 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
TSHR P16473 3/20 0.35
LMNA P02545 2/20 0.35
BLM P54132 1/20 0.33
HTT P42858 1/20 0.33
GRM2 Q14416 1/20 0.33
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL13545651 0.78 HTT (0.37) ALDH1A1KMT2ATSHRLMNAHTT
SCHEMBL19498013 0.78 HTT (0.33) KMT2AHTTGAACYP11B2XDH
SCHEMBL21721729 0.76 HTT (0.33) KMT2ATSHRLMNAHTTGAA
SCHEMBL15292249 0.76 HTT (0.39) ALDH1A1RAB9ANPC1MITFMAPT
SCHEMBL23399489 0.76 HTT (0.36) KMT2AHTTGAACYP11B2XDH
SCHEMBL21721553 0.73 CNR1 (0.33) ALDH1A1MAPTLMNAHTTKDM4E
SCHEMBL13990286 0.72
SCHEMBL19498020 0.72 MEN1 (0.33) ALDH1A1RAB9ANPC1MITFMAPT
SCHEMBL6978183 0.71
SCHEMBL1234403 0.71 KMT2A (0.37) ALDH1A1RAB9ANPC1MITFMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-26 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-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF CARM1, ADRM1, PRMT1 ALDH1A1 1286/4885RAB9A 839/4885NPC1 898/4885

“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.