SCHEMBL4984380

SCHEMBL4984380

O=C(O)c1ccc(C(=O)OCc2ccccc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
LMNA P02545 2/20 0.55
P4HTM Q9NXG6 2/20 0.54
P4HA1 P13674 1/20 0.54
MIF P14174 1/20 0.54
PKM P14618 1/20 0.53
ALDH1A1 P00352 2/20 0.51
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
TSHR P16473 1/20 0.51
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
GCK P35557 1/20 0.48
SRD5A2 P31213 1/20 0.48
MEN1 O00255 2/20 0.47

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
Hydrochloric Acid SCHEMBL29852570 0.98 KMT2A (0.54) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL4984363 0.92 KMT2A (0.62) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL4989856 0.88 P4HTM (0.61) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL9346609 0.87 PKM (0.67) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL1584846 0.86 PKM (0.52) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL23397122 0.84 LMNA (0.58) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL1741858 0.82 TDP1 (0.57) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL12612944 0.82 POLB (0.57) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL21426872 0.82 MAPT (0.57) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL20460597 0.82 TDP1 (0.51) KMT2ATDP1SLC6A2SLC6A3LMNA

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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP 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 (2 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R KMT2A 3245/4885TDP1 2065/4885SLC6A2 3836/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 KMT2A 4143/4885TDP1 2881/4885SLC6A2 3753/4885

“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.