SCHEMBL4987308

SCHEMBL4987308

COc1ccc(-n2nc(C(=O)NC3CCCC3)nc2-c2ccccn2)cn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.48
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GABRA5 P31644 3/20 0.41
PDE4B Q07343 4/20 0.40
CNR1 P21554 3/20 0.40
POLB P06746 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
ITGA5 P08648 1/20 0.39
PDE4D Q08499 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4984484 0.86 PTGS2 (0.48) PTGS2ALDH1A1SMN1; SMN2GABRA5CNR1
SCHEMBL4984437 0.83 HPGDS (0.40) ALDH1A1SMN1; SMN2GABRA5MEN1KMT2A
SCHEMBL4990652 0.83 HPGDS (0.40) PTGS2ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL4987284 0.82 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EGABRA5MEN1KMT2A
SCHEMBL5530110 0.82 FAAH (0.47) PTGS2CNR1
SCHEMBL4990363 0.81 ALDH1A1 (0.39) PTGS2ALDH1A1SMN1; SMN2LMNAGABRA5
SCHEMBL4988466 0.80 GABRA1 (0.42) PTGS2GABRA5CNR1ITGA5
SCHEMBL4988846 0.79 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL4987389 0.79 HPGDS (0.37) PTGS2ALDH1A1SMN1; SMN2LMNAGABRA5
SCHEMBL4993626 0.78 L3MBTL1 (0.37) SMN1; SMN2GABRA5MEN1KMT2A

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 3 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
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 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 (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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R PTGS2 4/4885ALDH1A1 185/4885TSHR 2787/4885

“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.