SCHEMBL5928927

SCHEMBL5928927

CCc1cccc(CC)c1-c1nc(Br)c(CN2CCCCC2c2ccc3c(c2)OCO3)n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ERBB2 P04626 2/20 0.36
▸ FAAH O00519 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ TERT O14746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL5929070 0.87 KMT2A (0.41) KMT2ALMNAKDM4EFAAHPOLB
SCHEMBL5929189 0.87 KMT2A (0.36) KMT2ALMNAKDM4EALDH1A1TERT
SCHEMBL5929012 0.86 POLB (0.38) KMT2ALMNAKDM4EERBB2POLB
SCHEMBL5929124 0.84 BCHE (0.37) KMT2ALMNAKDM4EPOLBALDH1A1
SCHEMBL5929120 0.81 KDM4E (0.42) KMT2ALMNAKDM4EFAAHPOLB
SCHEMBL5929123 0.80 POLB (0.40) KMT2ALMNAKDM4EFAAHPOLB
SCHEMBL5929306 0.79 C5AR1 (0.44) KMT2ALMNAKDM4EPOLBALDH1A1
SCHEMBL5929039 0.78 MAPT (0.40) KMT2ALMNAKDM4EFAAHALDH1A1
SCHEMBL5929097 0.77 POLB (0.39) KMT2ALMNAKDM4EPOLBTERT
SCHEMBL5928908 0.76 POLB (0.38) KMT2ALMNAKDM4EPOLBALDH1A1

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-20060154917-A1 Substituted (heterocycloalkyl)methyl azole derivatives as c5a receptor modulators NEUROGEN CORPORATION (US) 2006-07-13 — — 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-20060154917-A1 Substituted (heterocycloalkyl)methyl azole derivatives as c5a receptor modulators C5AR1, C5AR2, C3AR1 KMT2A 2955/4885LMNA 4776/4885KDM4E 1762/4885

“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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