SCHEMBL12226842

SCHEMBL12226842

Cc1ccc(O)c(Cn2c(N)nc3ccc(CCC#N)cc32)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ SOS1 Q07889 2/20 0.38
▸ GFER P55789 1/20 0.38
▸ TNF P01375 1/20 0.36
▸ CXCL8 P10145 1/20 0.36
▸ NOD2 Q9HC29 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HPGD P15428 3/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.34
▸ CSF1R P07333 4/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32

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
SCHEMBL8284674 0.87 SOS1 (0.42) KDM4EALDH1A1SOS1GFERTNF
SCHEMBL8284672 0.85 SOS1 (0.41) KDM4EALDH1A1SOS1GFERTNF
SCHEMBL8284695 0.85 KDM4E (0.46) KDM4EALDH1A1SOS1GFERTNF
SCHEMBL8241914 0.84 SOS1 (0.43) KDM4EALDH1A1SOS1GFERTNF
SCHEMBL12226864 0.80 ALDH1A1 (0.38) KDM4EALDH1A1GFERHPGDUSP2
SCHEMBL12852045 0.79 SOS1 (0.48) KDM4EALDH1A1SOS1GFERKMT2A
SCHEMBL12226841 0.78 KDM4E (0.34) KDM4EALDH1A1SOS1GFERTNF
SCHEMBL12851953 0.76 KCNH2 (0.48) KMT2AUSP2HTTGAA
SCHEMBL8284602 0.76 KDM4E (0.38) KDM4EALDH1A1SOS1GFERTNF
SCHEMBL8284698 0.76 CDK1 (0.42) KDM4EALDH1A1KMT2AHPGDUSP2

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-8044073-B2 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2011-10-25 — — US disclosed
US-8044073-B2 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2011-10-25 — — US disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 — — US disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 — — 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-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-2, H1-4 KDM4E 704/4885ALDH1A1 1319/4885SOS1 2168/4885

“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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