SCHEMBL22065338

SCHEMBL22065338

N#Cc1ccc(-c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc3ccccc23)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 8/20 0.48
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36

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
SCHEMBL22908011 0.93 SLC22A12 (0.45) SLC22A12CYP11B1CYP11B2KMT2AMEN1
SCHEMBL21658225 0.89 SLC22A12 (0.46) SLC22A12CYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL19939352 0.89 ESR2 (0.42) SLC22A12KMT2AMEN1HCRTR1ALDH1A1
SCHEMBL22259167 0.86 CYP1A2 (0.44) SLC22A12CYP11B1CYP11B2KMT2AMEN1
SCHEMBL20404926 0.85 ESR2 (0.44) SLC22A12KMT2AMEN1HCRTR1ALDH1A1
SCHEMBL19939330 0.85 ESR2 (0.44) SLC22A12KMT2AMEN1HCRTR1ALDH1A1
SCHEMBL19939351 0.85 ESR2 (0.44) SLC22A12KMT2AMEN1HCRTR1ALDH1A1
SCHEMBL22908052 0.84 SLC22A12 (0.41) SLC22A12KMT2AALDH1A1KDM4EMAPT
SCHEMBL22064797 0.84 ESR2 (0.40) SLC22A12KMT2AMEN1HCRTR1ALDH1A1
SCHEMBL26582007 0.84 KMT2A (0.39) SLC22A12CYP11B1CYP11B2KMT2AMEN1

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-20200181096-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2020-06-11 — — 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-20200181096-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CYP1A1, AHR SLC22A12 4126/4885CYP11B1 483/4885CYP11B2 701/4885

“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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