SCHEMBL12002187

SCHEMBL12002187

CC1=C(O)CCN(Cc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ ACHE P22303 3/20 0.48
▸ MC4R P32245 1/20 0.47
▸ PNMT P11086 1/20 0.47
▸ DRD4 P21917 2/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SLC6A5 Q9Y345 1/20 0.43

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
SCHEMBL1147448 0.87 SIGMAR1 (0.50) SIGMAR1LMNAPOLBACHEMC4R
SCHEMBL10142868 0.84 SIGMAR1 (0.55) SIGMAR1LMNAPOLBACHEMC4R
SCHEMBL13484229 0.84 SIGMAR1 (0.50) SIGMAR1LMNAPOLBACHEMC4R
SCHEMBL13264430 0.81 LMNA (0.47) SIGMAR1LMNAPOLBACHEMC4R
SCHEMBL23858257 0.80 SIGMAR1 (0.50) SIGMAR1LMNAPOLBACHEMC4R
SCHEMBL14211699 0.80 SIGMAR1 (0.50) SIGMAR1ACHEMC4RPNMTDRD4
SCHEMBL8344719 0.80 LMNA (0.50) SIGMAR1LMNAPOLBACHEMC4R
SCHEMBL5621315 0.79 SIGMAR1 (0.57) SIGMAR1LMNAPOLBACHEMC4R
SCHEMBL14969763 0.79 LMNA (0.49) SIGMAR1LMNAPOLBACHEMC4R
SCHEMBL14382631 0.78 ACHE (0.47) SIGMAR1LMNAPOLBACHEPNMT

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-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 — — 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-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 SIGMAR1 670/4885LMNA 2947/4885POLB 314/4885

“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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