SCHEMBL4987571

SCHEMBL4987571

COc1ccc(-n2nc(C(=O)O)nc2-c2ccc(Cl)cn2)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
USP2 O75604 1/20 0.39
PABPC1 P11940 1/20 0.39
GABRA5 P31644 2/20 0.38
OXTR P30559 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
P2RX7 Q99572 1/20 0.37
AVPR1A P37288 2/20 0.36
BRD4 O60885 2/20 0.36
BRD2 P25440 2/20 0.36
BRD3 Q15059 2/20 0.36
CREBBP Q92793 2/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4987515 0.89 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AMEN1PABPC1OXTR
SCHEMBL14186820 0.87 OXTR (0.41) SMN1; SMN2KMT2AMEN1GABRA5OXTR
SCHEMBL4984447 0.86 OXTR (0.41) SMN1; SMN2KMT2AMEN1GABRA5OXTR
SCHEMBL4990279 0.86 AR (0.37) SMN1; SMN2KMT2AMEN1GABRA5OXTR
SCHEMBL4988506 0.85 OXTR (0.40) SMN1; SMN2KMT2AMEN1OXTRL3MBTL1
SCHEMBL4984496 0.84 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AMEN1OXTRL3MBTL1
SCHEMBL4987284 0.83 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1GABRA5OXTR
SCHEMBL4982122 0.83 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AMEN1OXTRL3MBTL1
SCHEMBL5783378 0.82 LRRK2 (0.37) GABRA5P2RX7
SCHEMBL4988267 0.81 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AMEN1OXTRL3MBTL1

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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
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 HTT 3347/4885SMN1; SMN2 3713/4885KMT2A 3245/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 HTT 2548/4885SMN1; SMN2 3027/4885KMT2A 4143/4885

“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.