SCHEMBL16632477

SCHEMBL16632477

O=C(CC(Br)n1c(=O)cc[nH]c1=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
PKM P14618 1/20 0.39
GAA P10253 3/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GSK3B P49841 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTPN1 P18031 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
PDPK1 O15530 1/20 0.37
DAO P14920 1/20 0.37
MGAM O43451 2/20 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
SCHEMBL5860460 0.72 LMNA (0.49) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL28103828 0.70 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1GAA
Hydrogen Sulfide SCHEMBL28104139 0.69 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL8861331 0.68 TSHR (0.64) TSHRALDH1A1MAPTPOLBKMT2A
SCHEMBL27628887 0.67 MAPT (0.38) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL2603746 0.66 POLB (0.40) ALDH1A1MAPTPOLBGAAKDM4E
SCHEMBL5313340 0.66 TSHR (0.72) TSHRALDH1A1MAPTPOLBKMT2A
SCHEMBL28481770 0.65 TSHR (0.59) TSHRALDH1A1MAPTPOLBKMT2A
SCHEMBL5195933 0.65 TSHR (0.59) TSHRALDH1A1MAPTPOLBKMT2A
SCHEMBL27352994 0.65 TSHR (0.59) TSHRALDH1A1MAPTPOLBKMT2A

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-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 (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-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR TSHR 4583/4885ALDH1A1 1200/4885MAPT 1046/4885

“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.