SCHEMBL8284642

SCHEMBL8284642

Nc1nc2cc(CO)ccc2n1Cc1cccc(Br)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ TNF P01375 2/20 0.41
▸ NOD2 Q9HC29 2/20 0.41
▸ NOD1 Q9Y239 2/20 0.41
▸ SOS1 Q07889 2/20 0.41
▸ CXCL8 P10145 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RPS6KA5 O75582 1/20 0.41
▸ BACE1 P56817 2/20 0.39
▸ NUDT1 P36639 1/20 0.39
▸ CSF1R P07333 6/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CXCR4 P61073 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL8284636 0.90 TNF (0.41) HTTALDH1A1POLBTNFNOD2
SCHEMBL30581414 0.81 POLB (0.49) HTTALDH1A1POLBTNFNOD2
SCHEMBL8284643 0.80 HTT (0.39) HTTALDH1A1POLBTNFNOD2
SCHEMBL12226891 0.76 NPC1 (0.49) HTTALDH1A1POLBKMT2AKDM4E
Nitrous Acid SCHEMBL25426326 0.76 POLB (0.44) HTTALDH1A1POLBTNFNOD2
SCHEMBL8285686 0.76 SOS1 (0.49) HTTALDH1A1POLBTNFNOD2
SCHEMBL30581408 0.73 KMT2A (0.47) HTTALDH1A1POLBTNFNOD2
SCHEMBL2542294 0.73 RPS6KA5 (0.41) HTTALDH1A1POLBTNFNOD2
SCHEMBL8284617 0.72 RPS6KA5 (0.47) HTTALDH1A1POLBTNFNOD2
SCHEMBL8284638 0.72 CDK1 (0.37) HTTALDH1A1POLBTNFNOD2

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 2862/4885ALDH1A1 1319/4885POLB 185/4885

“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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