SCHEMBL3181913

SCHEMBL3181913

[CH2]C[CH]Sc1ccccc1-c1nnc(Nc2ccc(Cl)cc2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 1/20 0.45
▸ GSK3B P49841 1/20 0.40
▸ SCN9A Q15858 1/20 0.38
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ SMN1; SMN2 Q16637 5/20 0.34
▸ NPC1 O15118 4/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ HPGD P15428 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
SCHEMBL1344762 0.75 KDR (0.51) GUSBMAPTMEN1KMT2ARAB9A
SCHEMBL1348076 0.73 GUSB (0.55) GUSBGSK3BSCN9AMAPTMEN1
SCHEMBL28574516 0.70 HDAC6 (0.61) GUSBSCN9AMEN1KMT2ARAB9A
SCHEMBL23220354 0.67 RAB9A (0.58) GUSBMAPTMEN1KMT2ARAB9A
SCHEMBL28577342 0.67 GUSB (0.73) GUSBMAPTMEN1KMT2ARAB9A
SCHEMBL28571808 0.67 RAB9A (0.59) GUSBSCN9AMAPTMEN1KMT2A
SCHEMBL1344651 0.66 KMT2A (0.47) GUSBGSK3BMAPTMEN1KMT2A
SCHEMBL6155925 0.65 GUSB (0.70) GUSBMAPTMEN1KMT2ARAB9A
SCHEMBL1347138 0.64 SCN9A (0.45) GUSBGSK3BSCN9AMAPTMEN1
SCHEMBL1344882 0.64 KMT2A (0.51) GUSBMAPTMEN1KMT2ARAB9A

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-20100016354-A1 NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 — — 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-20100016354-A1 NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITORY ACTIVITY FLT4, VEGFA, FLT1 GUSB 2932/4885GSK3B 1285/4885SCN9A 4104/4885

“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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