SCHEMBL2129288

SCHEMBL2129288

O=C(Nc1cccc(Br)c1)c1cc2ccccc2cc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.71
MEN1 O00255 7/20 0.64
KMT2A Q03164 7/20 0.64
RAB9A P51151 6/20 0.64
POLB P06746 3/20 0.64
MAPT P10636 3/20 0.64
HTT P42858 2/20 0.64
TNF P01375 1/20 0.64
LMNA P02545 1/20 0.64
POLA1 P09884 1/20 0.64
THRB P10828 1/20 0.64
NOD1 Q9Y239 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
SRC P12931 1/20 0.62
NPC1 O15118 5/20 0.61
PLG P00747 2/20 0.60
KLK1 P06870 2/20 0.60
KLK6 Q92876 2/20 0.60
ALDH1A1 P00352 1/20 0.58
CASP3 P42574 1/20 0.58

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
SCHEMBL11070985 0.85 SRC (0.83) MEN1KMT2ARAB9APOLBMAPT
SCHEMBL10340544 0.85 KMT2A (0.77) MEN1KMT2ARAB9APOLBMAPT
SCHEMBL57970 0.84 MEN1 (0.77) MEN1KMT2ARAB9APOLBMAPT
SCHEMBL29890853 0.84 MEN1 (0.77) MEN1KMT2ARAB9APOLBMAPT
SCHEMBL30084384 0.84 MEN1 (0.77) MEN1KMT2ARAB9APOLBMAPT
SCHEMBL10967705 0.84 MEN1 (0.64) P2RX1MEN1KMT2ARAB9APOLB
SCHEMBL2700843 0.83 P2RX1 (1.00) P2RX1MEN1KMT2ARAB9APOLB
SCHEMBL5426499 0.82 KMT2A (0.84) MEN1KMT2ARAB9APOLBMAPT
SCHEMBL2129113 0.82 FADS1 (0.71) P2RX1MEN1KMT2ARAB9APOLB
SCHEMBL10863807 0.82 RAB9A (0.64) MEN1KMT2ARAB9APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56152867-A None JP disclosed
US-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS BIOMARIN PHARMACEUTICAL INC. 2012-04-26 US disclosed
US-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS BIOMARIN PHARMACEUTICAL INC. 2012-04-26 US disclosed
US-7989498-B2 Immunosuppressants; autoimmune disease; organs transplantation; antiinflammatory agents; viricides; antiproliferative agents; antitumor, anticancer agents VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-02 US disclosed
US-7989498-B2 Immunosuppressants; autoimmune disease; organs transplantation; antiinflammatory agents; viricides; antiproliferative agents; antitumor, anticancer agents VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-02 US disclosed
US-7915255-B2 Metabolism-modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2011-03-29 US disclosed
US-7915255-B2 Metabolism-modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2011-03-29 US disclosed
JP-S56152867-A NOVEL DISAZO COMPD. AND PREPARATION THEREOF RICOH CO LTD 1981-11-26 JP 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-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS ENGASE, GALNT1, GALNT13 P2RX1 4747/4885MEN1 3791/4885KMT2A 1652/4885

“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.