SCHEMBL13641433

SCHEMBL13641433

CCCCCn1ncc2cc(Br)c(C)cc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.38
▸ SLC9A1 P19634 3/20 0.37
▸ KMO O15229 3/20 0.36
▸ GRM2 Q14416 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HCAR3 P49019 1/20 0.34
▸ TLR8 Q9NR97 3/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 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
SCHEMBL13641471 0.84 HTR2A (0.43) PKMSLC9A1KMOGRM2HTR2A
SCHEMBL1980738 0.79 TNF (0.43) KMO
SCHEMBL12600918 0.78 KMO (0.32) KMO
SCHEMBL8804551 0.78 PKM (0.36) PKMSLC9A1KMOGRM2
SCHEMBL21780866 0.78 KMO (0.46) PKMSLC9A1KMOHCAR3TLR8
SCHEMBL1542251 0.77 NOTUM (0.36) —
SCHEMBL15687678 0.76 HTR2A (0.47) KMOGRM2HTR2AHTR2CHTR2B
SCHEMBL13641438 0.75 HTR2A (0.34) PKMKMOALDH1A1TDP1LMNA
SCHEMBL2945239 0.73 PKM (0.41) PKMSLC9A1GRM2
SCHEMBL16418009 0.72 BRD4 (0.45) PKMKMOALDH1A1LMNA

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-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 — — 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-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 PKM 2024/4885SLC9A1 2502/4885KMO 3130/4885

“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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