SCHEMBL16632364

SCHEMBL16632364

COc1cc(C)cc(Br)c1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
L3MBTL1 Q9Y468 10/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 9/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36
ERN1 O75460 1/20 0.36
MAPK1 P28482 1/20 0.36
PRKDC P78527 1/20 0.35

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
SCHEMBL28761010 0.84 ACHE (0.59) ACHEL3MBTL1POLBMAPTKDM4E
SCHEMBL17924627 0.80 ALDH1A1 (0.43) L3MBTL1POLBMAPTKDM4ESMN1; SMN2
SCHEMBL16632376 0.78 ERN1 (0.39) L3MBTL1POLBMAPTKDM4ENPC1
SCHEMBL30234246 0.78 ERN1 (0.39) L3MBTL1POLBMAPTKDM4ENPC1
SCHEMBL23648084 0.78 ALDH1A1 (0.35) ACHEMAPK1ALDH1A1MAOB
SCHEMBL30833916 0.77 ACHE (0.52) ACHEL3MBTL1MAPTKDM4ESMN1; SMN2
SCHEMBL1126364 0.77 ACHE (0.52) ACHEL3MBTL1POLBMAPTKDM4E
SCHEMBL30234361 0.77 POLB (0.38) L3MBTL1POLBMAPTNPSR1ALOX5
SCHEMBL9880773 0.76 ACHE (0.70) ACHEL3MBTL1MAPTKDM4ELMNA
SCHEMBL3292936 0.74 ALOX5 (0.67) ACHEPOLBMAPTKDM4EALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170282170-A9 PHOSPHORUS-CONTAINING CATALYSTS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-10-05 US disclosed
US-20160207034-A1 PHOSPHORUS-CONTAINING CATALYSTS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-07-21 US disclosed
US-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 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 (3 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-20160207034-A1 PHOSPHORUS-CONTAINING CATALYSTS AR, NR2C2, ORC3 ACHE 4007/4885L3MBTL1 3186/4885POLB 1228/4885
US-20170282170-A9 PHOSPHORUS-CONTAINING CATALYSTS AR, NR2C2, ORC3 ACHE 4007/4885L3MBTL1 3186/4885POLB 1228/4885
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR ACHE 1975/4885L3MBTL1 879/4885POLB 8/4885

“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.