SCHEMBL6539876

SCHEMBL6539876

COc1ccc(-c2nc(C(=O)N3CCCCC3)oc2-c2ccc(O)cc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
GABRA1 P14867 2/20 0.41
CNR1 P21554 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CA2 P00918 1/20 0.40
KCNH2 Q12809 1/20 0.39
FYN P06241 1/20 0.39
PIK3CA P42336 1/20 0.39
GABRA5 P31644 2/20 0.38
POLB P06746 1/20 0.38
PPARD Q03181 1/20 0.38
MCHR1 Q99705 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CA1 P00915 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL6392729 0.88 HPGD (0.46) HPGDGABRA1CNR1NPC1RAB9A
SCHEMBL6207437 0.86 KMT2A (0.46) HPGDNPC1RAB9AGABRA5POLB
SCHEMBL6233246 0.85 RAB9A (0.50) HPGDCNR1NPC1RAB9APOLB
Hydrochloric Acid SCHEMBL6540413 0.85 HPGD (0.44) HPGDGABRA1CNR1NPC1RAB9A
SCHEMBL6539699 0.83 HPGD (0.43) HPGDGABRA1CNR1NPC1RAB9A
SCHEMBL6539344 0.82 HPGD (0.42) HPGDGABRA1CNR1NPC1RAB9A
SCHEMBL6539690 0.82 HPGD (0.42) HPGDGABRA1CNR1NPC1RAB9A
SCHEMBL6208237 0.82 MKNK1 (0.50) GABRA1CA2FYNPIK3CAPPARD
SCHEMBL6538971 0.78 PPARD (0.40) GABRA1FYNPPARDHDAC6
SCHEMBL5783684 0.78 KCNH2 (0.47) HPGDGABRA1KCNH2PIK3CAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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 (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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 HPGD 29/4885GABRA1 2555/4885CNR1 101/4885

“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.