SCHEMBL3107616

SCHEMBL3107616

Fc1cccc2nc(CCl)nc(Cl)c12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
PARP1 P09874 2/20 0.38
ACHE P22303 4/20 0.36
ELANE P08246 1/20 0.35
PDE10A Q9Y233 1/20 0.33
HSP90AB1 P08238 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BCHE P06276 1/20 0.32
MEN1 O00255 1/20 0.32
DHFR P00374 1/20 0.31

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
SCHEMBL9263229 0.82 KMT2A (0.41) KMT2APARP1ACHEELANETDP1
SCHEMBL31663074 0.81 PARP1 (0.44) PARP1ACHEPDE10AHSP90AB1BCHE
SCHEMBL1995692 0.78 PARP1 (0.42) PARP1ACHEELANEHSP90AB1TDP1
SCHEMBL29909242 0.78 PARP1 (0.42) PARP1ACHEELANEHSP90AB1TDP1
SCHEMBL26697710 0.75 PARP1 (0.40) PARP1ACHEELANEHSP90AB1TDP1
SCHEMBL14842829 0.75 PARP1 (0.47) KMT2APARP1ACHEELANEPDE10A
SCHEMBL23015239 0.71 PARP1 (0.42) KMT2APARP1ACHEELANENPC1
SCHEMBL538144 0.71 TDP1 (0.43) PARP1ACHEELANEHSP90AB1TDP1
SCHEMBL29875049 0.71 PARP1 (0.42) KMT2APARP1ACHEELANENPC1
SCHEMBL92745 0.71 KMT2A (0.50) KMT2AACHETDP1NPC1RAB9A

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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US disclosed
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-03-18 US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX KMT2A 4023/4885PARP1 360/4885ACHE 3180/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KMT2A 3742/4885PARP1 387/4885ACHE 3329/4885
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MKI67, CCNI, CCNA1 KMT2A 4400/4885PARP1 1807/4885ACHE 3644/4885

“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.