SCHEMBL13641471

SCHEMBL13641471

CCCCCn1ncc2cc(Br)c(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ KMO O15229 5/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ PKM P14618 1/20 0.35
▸ GRM2 Q14416 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ SLC9A1 P19634 3/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ MAOB P27338 2/20 0.32
▸ SMPD1 P17405 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ MAOA P21397 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
SCHEMBL13641433 0.84 PKM (0.38) HTR2AHTR2CKMOPKMGRM2
SCHEMBL1981526 0.79 KMO (0.46) KMOPDE4BPDE4D
SCHEMBL12601124 0.78 HTR2A (0.38) HTR2AHTR2CKMO
SCHEMBL8804551 0.77 PKM (0.36) KMOPKMGRM2PDE4BPDE4D
SCHEMBL21780866 0.77 KMO (0.46) HTR2AHTR2CKMOPKMSLC9A1
SCHEMBL13641449 0.76 HTR2A (0.40) HTR2AHTR2CKMOPDE4BPDE4D
SCHEMBL14155060 0.72 KMO (0.66) HTR2AHTR2CKMOHTR2B
SCHEMBL31602858 0.72 HTR2A (0.41) HTR2AHTR2CKMOMAOBEGFR
SCHEMBL17848050 0.71 PIK3CB (0.44) PKM
SCHEMBL861732 0.69 CYP1A2 (0.57) KMOSLC9A1

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 HTR2A 996/4885HTR2C 1151/4885KMO 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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