SCHEMBL16632478

SCHEMBL16632478

CC(Br)c1c[nH]c(=O)n(C(=O)c2ccccc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.43
P2RX4 Q99571 1/20 0.39
IDO1 P14902 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SRC P12931 1/20 0.35
LMNA P02545 1/20 0.34
PIK3CD O00329 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
ELANE P08246 1/20 0.33
NOD2 Q9HC29 1/20 0.33
POLB P06746 1/20 0.33
ALOX5AP P20292 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 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
SCHEMBL2189433 0.77 TYMP (0.53) TYMPP2RX4IDO1KMT2AMEN1
SCHEMBL2745392 0.74 TYMP (0.45) TYMPP2RX4IDO1KMT2AMEN1
SCHEMBL599845 0.74 TYMP (0.45) TYMPP2RX4IDO1KMT2AMEN1
SCHEMBL28562422 0.74 TYMP (0.46) TYMPP2RX4IDO1KMT2AMEN1
SCHEMBL5800646 0.68 TYMP (0.56) TYMPP2RX4IDO1KMT2AMEN1
SCHEMBL3015728 0.67 TYMP (0.54) TYMPP2RX4IDO1KMT2AMEN1
SCHEMBL26378640 0.67 P2RX4 (0.40) TYMPP2RX4IDO1KMT2AMEN1
SCHEMBL2745402 0.66 TSHR (0.45) TYMPKMT2AMEN1NPC1RAB9A
SCHEMBL2892389 0.66 TYMP (0.43) TYMPP2RX4IDO1KMT2AMEN1
SCHEMBL2897883 0.66 TYMP (0.50) TYMPP2RX4IDO1KMT2AMEN1

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 TYMP 36/4885P2RX4 3086/4885IDO1 1504/4885

“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.