SCHEMBL12637488

SCHEMBL12637488

CN(C)c1nc2c(-c3ccc(-c4ccccc4)o3)cccc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.38
▸ MAPT P10636 3/20 0.38
▸ GAA P10253 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CACNA1B Q00975 2/20 0.38
▸ APBA1 Q02410 2/20 0.38
▸ LIPG Q9Y5X9 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HTR2C P28335 1/20 0.33

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
SCHEMBL12637468 0.84 SMN1; SMN2 (0.47) HPGDNPC1TP53NFKB1RAB9A
SCHEMBL12637489 0.83 NPC1 (0.36) HPGDNPC1TP53NFKB1RAB9A
SCHEMBL12637481 0.82 SMN1; SMN2 (0.45) HPGDNPC1TP53NFKB1RAB9A
SCHEMBL12637475 0.80 SMN1; SMN2 (0.43) HPGDNPC1TP53NFKB1RAB9A
SCHEMBL12637491 0.80 NPC1 (0.34) HPGDNPC1TP53NFKB1RAB9A
SCHEMBL12637487 0.78 HTR2C (0.33) HPGDNPC1TP53NFKB1RAB9A
SCHEMBL12637467 0.75 SMN1; SMN2 (0.43) HPGDNPC1TP53NFKB1RAB9A
SCHEMBL12637465 0.74 SMN1; SMN2 (0.37) HPGDNPC1TP53NFKB1RAB9A
SCHEMBL12637466 0.74 ENPP1 (0.44) HPGDNPC1TP53NFKB1RAB9A
SCHEMBL12637464 0.73 ENPP1 (0.42) HPGDNPC1TP53NFKB1RAB9A

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-7939669-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-10 — — US disclosed
US-7939669-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-10 — — US disclosed
US-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2009-12-10 — — US disclosed
US-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2009-12-10 — — 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-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SCO2, RPS4Y1, RER1 HPGD 3538/4885NPC1 2314/4885TP53 3658/4885

“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.

Send feedback