SCHEMBL10100339

SCHEMBL10100339

CCn1c(Br)c(C(C)C)c(=O)[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
POLB P06746 2/20 0.50
GLA P06280 1/20 0.40
PDE4A P27815 3/20 0.38
ADORA2A P29274 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
CYP1A2 P05177 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 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
SCHEMBL10101674 0.80 MAPT (0.43) MAPTPOLBGLAPDE4AADORA2A
SCHEMBL1484507 0.79 MAPT (0.42) MAPTPOLBGLAPDE4AADORA2A
SCHEMBL417194 0.79 MAPT (0.59) MAPTPOLBGLAPDE4AADORA2A
SCHEMBL16334548 0.76 MAPT (0.55) MAPTPOLBGLAPDE4AADORA2A
SCHEMBL12752311 0.72 CYP1A2 (0.37) MAPTPOLBPDE4AADORA2APDE4B
SCHEMBL12829055 0.67 MAOB (0.36) MAPTPOLBPDE4AADORA2APDE4B
SCHEMBL1484525 0.67 PDE4A (0.36) MAPTPOLBPDE4AADORA2APDE4B
SCHEMBL1484846 0.67 USP1 (0.38) MAPTPOLBPDE4AADORA2APDE4B
SCHEMBL5133324 0.67 POLB (0.36) MAPTPOLBPDE4AADORA2APDE4B
SCHEMBL12752174 0.67 KMT2A (0.40) MAPTPOLBPDE4AADORA2APDE4B

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-20120022257-A1 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-26 US disclosed
US-20120022257-A1 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-26 US disclosed
WO-2010085128-A2 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-07-29 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-20120022257-A1 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS POLRMT, SAMHD1, POLR1E MAPT 2889/4885POLB 9/4885GLA 2327/4885

“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.