SCHEMBL2128729

SCHEMBL2128729

CCn1ccc2c(C(N)=NO)ccc(Br)c21

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.33
▸ GFER P55789 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RAB9A P51151 1/20 0.31
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ MAPT P10636 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ F2RL1 P55085 1/20 0.30

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
SCHEMBL10104101 1.00 GAA (0.33) GAAGFERLMNAL3MBTL1RAB9A
SCHEMBL2128728 0.77 F2RL1 (0.31) F2RL1
SCHEMBL27267915 0.68 DDR1 (0.31) F2RL1
SCHEMBL2121254 0.67 KDM4E (0.33) L3MBTL1MAPK1ALDH1A1
SCHEMBL10104105 0.65 GAA (0.35) GAALMNARAB9AHDAC1HDAC2
SCHEMBL16475178 0.63 F2RL1 (0.33) RAB9AF2RL1
SCHEMBL7435983 0.63 GAA (0.63) GAAGFERLMNAL3MBTL1MEN1
SCHEMBL1795593 0.60 ALDH1A1 (0.47) GAAGFERLMNAL3MBTL1MEN1
SCHEMBL16899449 0.60 CYP19A1 (0.39) LMNARAB9AMEN1KMT2AALDH1A1
SCHEMBL1795591 0.60 ALDH1A1 (0.47) GAAGFERLMNAL3MBTL1MEN1

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-20120101124-A1 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 — — 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-20120101124-A1 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 GAA 2751/4885GFER 4099/4885LMNA 2987/4885

“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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