SCHEMBL13545972

SCHEMBL13545972

COC(=O)c1sc(I)cc1CBr

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.39
MAPT P10636 7/20 0.39
HSD17B10 Q99714 5/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.37
MAPK1 P28482 3/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 6/20 0.36
HPGD P15428 6/20 0.36
ALDH1A1 P00352 5/20 0.36
ATM Q13315 2/20 0.36
GLA P06280 2/20 0.36
ALOX15 P16050 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 2/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36

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
SCHEMBL14390861 0.81 RAF1 (0.43) RAF1MAPTHSD17B10KMT2ATSHR
SCHEMBL2729001 0.81 GSK3B (0.43) RAF1MAPTHSD17B10KMT2ATSHR
SCHEMBL21152318 0.80 IKBKB (0.42) RAF1MAPTHSD17B10KMT2ATSHR
SCHEMBL161941 0.78 L3MBTL1 (0.60) RAF1MAPTL3MBTL1PKM
SCHEMBL318755 0.77 HSD17B10 (0.42) MAPTHSD17B10KMT2ATSHRL3MBTL1
SCHEMBL318526 0.77 KDM4E (0.53) MAPTHSD17B10KMT2ATSHRMAPK1
SCHEMBL24212419 0.76 L3MBTL1 (0.46) RAF1MAPTHSD17B10KMT2ATSHR
SCHEMBL17227588 0.76 RAF1 (0.42) RAF1MAPTHSD17B10KMT2ATSHR
SCHEMBL13545971 0.75 MAPT (0.44) MAPTHSD17B10KMT2ATSHRMAPK1
SCHEMBL13545968 0.75 ALDH1A1 (0.40) RAF1MAPTHSD17B10KMT2ATSHR

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-20230212171-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. 2023-07-06 US disclosed
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 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-20230212171-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 RAF1 140/4885MAPT 3718/4885HSD17B10 4296/4885
US-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 RAF1 1902/4885MAPT 3484/4885HSD17B10 999/4885

“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.