SCHEMBL5929090

SCHEMBL5929090

CCc1cccc(CC)c1-c1nc(-c2ccc(C(F)(F)F)cc2)c(CN2CCCCC2c2ccccc2)n1CC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MDM2 Q00987 4/20 0.36
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CFB P00751 2/20 0.35
▸ NR1H2 P55055 2/20 0.35
▸ NR1H3 Q13133 2/20 0.35
▸ PHGDH O43175 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ SLC2A1 P11166 1/20 0.34

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
SCHEMBL5929363 0.92 KMT2A (0.39) KDM4EALDH1A1GAAKMT2ACFB
SCHEMBL5928984 0.91 ALDH1A1 (0.41) KDM4EALDH1A1GAAKMT2ACFB
SCHEMBL5929141 0.91 KMT2A (0.38) KDM4EALDH1A1GAAKMT2ACFB
SCHEMBL5929099 0.90 HCRTR1 (0.38) KDM4EALDH1A1GAAKMT2ACFB
SCHEMBL5929038 0.90 DRD2 (0.40) KDM4EALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL5929078 0.88 KCNK3 (0.37) KDM4EALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL5929122 0.88 KMT2A (0.41) KDM4EALDH1A1GAAKMT2APOLB
SCHEMBL5929296 0.88 GAA (0.35) KDM4EALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL5928934 0.87 LMNA (0.37) KDM4EALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL5928924 0.87 KMT2A (0.37) KDM4EALDH1A1GAAKMT2ACFB

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 KDM4E 1762/4885ALDH1A1 3884/4885SMN1; SMN2 4708/4885

“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