SCHEMBL8284643

SCHEMBL8284643

Nc1nc2cc(C=O)ccc2n1Cc1cccc(Br)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TNF P01375 2/20 0.35
▸ NOD2 Q9HC29 2/20 0.35
▸ NOD1 Q9Y239 2/20 0.35
▸ CXCL8 P10145 1/20 0.35
▸ SOS1 Q07889 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HDAC1 Q13547 3/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ BACE1 P56817 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ NUDT1 P36639 1/20 0.33
▸ CXCR4 P61073 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ VDR P11473 1/20 0.32
▸ FAAH O00519 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
SCHEMBL8284638 0.91 CDK1 (0.37) HTTPOLBALDH1A1TNFNOD2
SCHEMBL8284631 0.84 HTT (0.40) HTTPOLBALDH1A1TNFNOD2
SCHEMBL8284642 0.80 HTT (0.42) HTTPOLBALDH1A1TNFNOD2
SCHEMBL8286246 0.77 CYP2A6 (0.34) ALDH1A1HDAC1CYP2A6VDRFAAH
SCHEMBL12226891 0.75 NPC1 (0.49) HTTPOLBALDH1A1KMT2A
SCHEMBL8285688 0.74 SOS1 (0.46) HTTPOLBALDH1A1TNFNOD2
SCHEMBL8283840 0.74 TNF (0.40) HTTPOLBALDH1A1TNFNOD2
SCHEMBL8284623 0.73 HTT (0.40) HTTPOLBALDH1A1TNFNOD2
SCHEMBL25294477 0.72 KMT2A (0.44) POLBTNFNOD2NOD1CXCL8
SCHEMBL8284636 0.72 TNF (0.41) HTTPOLBALDH1A1TNFNOD2

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 5 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
WO-2005058869-A1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 — — WO 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 HTT 2862/4885POLB 185/4885ALDH1A1 1319/4885

“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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