SCHEMBL5746977

SCHEMBL5746977

COc1c(F)ccc2[nH]cc(Cl)c(=O)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 2/20 0.35
▸ GPR84 Q9NQS5 1/20 0.35
▸ IDO1 P14902 2/20 0.34
▸ TUBB4A P04350 2/20 0.34
▸ TUBB P07437 2/20 0.34
▸ TUBA3C P0DPH7 2/20 0.34
▸ TUBA1B P68363 2/20 0.34
▸ TUBA4A P68366 2/20 0.34
▸ TUBB4B P68371 2/20 0.34
▸ TUBB3 Q13509 2/20 0.34
▸ TUBB2A Q13885 2/20 0.34
▸ TUBB8 Q3ZCM7 2/20 0.34
▸ TUBA3E Q6PEY2 2/20 0.34
▸ TUBA1A Q71U36 2/20 0.34
▸ TUBA1C Q9BQE3 2/20 0.34
▸ TUBB6 Q9BUF5 2/20 0.34
▸ TUBB2B Q9BVA1 2/20 0.34
▸ TUBB1 Q9H4B7 2/20 0.34
▸ CACNA1G O43497 1/20 0.34
▸ CACNA1B Q00975 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
SCHEMBL29957270 0.74 ALDH1A1 (0.48) GPR84TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5739288 0.73 CYP1A2 (0.36) GPR84TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31077741 0.70 HTR2A (0.58) GPR84HTR1AHTR6HTR7MAPT
SCHEMBL25423917 0.70 HTR2A (0.58) GPR84HTR1AHTR6HTR7MAPT
SCHEMBL15871696 0.68 GPR84 (0.42) NR4A2GPR84IDO1TUBB4ATUBB
SCHEMBL8959677 0.68 HTR1A (0.41) GPR84IDO1TUBB4ATUBBTUBA3C
SCHEMBL31440963 0.68 HTR2A (0.53) GPR84HTR1AALDH1A1LMNAHTT
SCHEMBL25748455 0.68 HTR2A (0.53) GPR84HTR1AALDH1A1LMNAHTT
SCHEMBL30483736 0.67 PRMT1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30483758 0.67 HTR1A (0.67) HTR1AHTR6MTNR1AMTNR1BHTR7

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
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 — — EP disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 — — US disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 — — EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 — — 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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG NR4A2 809/4885GPR84 2972/4885IDO1 2566/4885

“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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