SCHEMBL14740937

SCHEMBL14740937

O=C(OCc1ccccc1)c1c(OCc2ccccc2)ncc(O)c1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
LMNA P02545 3/20 0.48
KMT2A Q03164 3/20 0.48
HPGD P15428 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
POLB P06746 1/20 0.43
EGLN1 Q9GZT9 1/20 0.41
TSHR P16473 3/20 0.40
RAB9A P51151 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
NPC1 O15118 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL14741018 0.85 TDP1 (0.47) TDP1LMNAKMT2AHPGDSLC6A2
SCHEMBL14740927 0.78 EGLN1 (0.44) TDP1LMNAKMT2AHPGDSLC6A2
SCHEMBL14740999 0.74 POLB (0.48) TDP1LMNAKMT2AHPGDSLC6A2
SCHEMBL3919215 0.74 TDP1 (0.71) TDP1LMNAKMT2AHPGDSLC6A2
SCHEMBL27032889 0.74 TDP1 (0.50) TDP1LMNAKMT2AHPGDSLC6A2
SCHEMBL16441037 0.74 KCNA2 (0.49) TDP1LMNAHPGDALDH1A1L3MBTL1
SCHEMBL15716659 0.73 ALDH1A1 (0.67) TDP1LMNAKMT2AHPGDSLC6A2
SCHEMBL14741073 0.73 ADORA3 (0.46) LMNAKMT2AHPGDL3MBTL1POLB
SCHEMBL14741244 0.73 POLB (0.46) TDP1LMNAKMT2AHPGDSLC6A2
SCHEMBL22015355 0.73 LMNA (0.78) TDP1LMNAKMT2AHPGDSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
WO-2016025933-A2 SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-02-18 WO disclosed
WO-2016025932-A1 SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-02-18 WO disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP TDP1 3626/4885LMNA 2119/4885KMT2A 4450/4885

“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.