SCHEMBL12912463

SCHEMBL12912463

CCn1c(-c2ccccc2)nc2cc(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)ccc21

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ PTGER4 P35408 16/20 0.43
▸ TP53 P04637 1/20 0.40

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
SCHEMBL12912461 0.93 NLRP3 (0.60) NLRP3KDM4EALDH1A1HPGDMAPT
SCHEMBL12912453 0.87 KDM4E (0.47) NLRP3KDM4EALDH1A1MAPTMEN1
SCHEMBL12912451 0.85 PDE10A (0.47) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL12912448 0.82 NLRP3 (0.64) NLRP3KDM4EALDH1A1HPGDMAPT
SCHEMBL25112975 0.82 KDM4E (0.54) NLRP3KDM4EALDH1A1HPGDMAPT
SCHEMBL12912492 0.82 NLRP3 (0.60) NLRP3KDM4EALDH1A1HPGDMAPT
SCHEMBL12912443 0.82 ESR1 (0.42) ALDH1A1MAPTMEN1HTTKMT2A
SCHEMBL12912464 0.80 KDM4E (0.49) NLRP3KDM4EALDH1A1MAPTMEN1
SCHEMBL25555434 0.80 NLRP3 (0.64) NLRP3KDM4EALDH1A1HPGDMAPT
SCHEMBL25555427 0.80 NLRP3 (0.60) NLRP3KDM4EALDH1A1HPGDMAPT

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-8945724-B2 Nitrogen-containing heterocyclic derivative and organic electroluminescent device using the same IDEMITSU KOSAN CO., LTD. (JP) 2015-02-03 — — US disclosed
US-8945724-B2 Nitrogen-containing heterocyclic derivative and organic electroluminescent device using the same IDEMITSU KOSAN CO., LTD. (JP) 2015-02-03 — — US disclosed
US-20110012092-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-01-20 — — US disclosed
US-20110012092-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-01-20 — — 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-20110012092-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME NUDC, TYR, NUDT1 NLRP3 58/4885KDM4E 427/4885ALDH1A1 1960/4885

“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.

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