Sugi Predict

Sugi Predict / Compounds / SCHEMBL14339587

SCHEMBL14339587

SCHEMBL14339587

C/N=C(\N)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.51
▸ KLF5 Q13887 2/20 0.51
▸ NOD1 Q9Y239 2/20 0.51
▸ SLC22A2 O15244 1/20 0.50
▸ SLC22A1 O15245 1/20 0.50
▸ SLC22A3 O75751 1/20 0.50
▸ HDAC1 Q13547 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ TYR P14679 1/20 0.44
▸ SRD5A2 P31213 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ GRIN2D O15399 2/20 0.43
▸ GRIN3B O60391 2/20 0.43
▸ GRIN1 Q05586 2/20 0.43
▸ GRIN2A Q12879 2/20 0.43
▸ GRIN2B Q13224 2/20 0.43
▸ GRIN2C Q14957 2/20 0.43
▸ GRIN3A Q8TCU5 2/20 0.43
▸ ESRRG P62508 1/20 0.42

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
SCHEMBL2358591 0.83 TNF (0.51) TNFKLF5NOD1SLC22A2SLC22A1
SCHEMBL2358589 0.83 TNF (0.51) TNFKLF5NOD1SLC22A2SLC22A1
SCHEMBL18310654 0.78 TNF (0.59) TNFKLF5NOD1SLC22A2SLC22A1
SCHEMBL19001566 0.76 TNF (0.46) TNFKLF5NOD1SLC22A2SLC22A1
SCHEMBL13165824 0.76 TNF (0.58) TNFKLF5NOD1SLC22A2SLC22A1
SCHEMBL13165822 0.76 TNF (0.58) TNFKLF5NOD1SLC22A2SLC22A1
SCHEMBL16930799 0.76 TNF (0.50) TNFKLF5NOD1SLC22A2SLC22A1
SCHEMBL14393378 0.75 KDM1A (0.50) LMNATYRNPC1RAB9AESRRG
SCHEMBL15653057 0.75 MASP2 (0.48) LMNANPC1RAB9APRSS1MEN1
SCHEMBL25914317 0.75 CYP2D6 (0.55) SLC22A2SLC22A1SLC22A3LMNANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 — — US disclosed
US-20070287713-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 — — US disclosed
US-7279485-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-09 — — 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 (2 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-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 TNF 4808/4885KLF5 4689/4885NOD1 4211/4885
US-20070287713-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD PYM1, GPR119, GLP1R TNF 4383/4885KLF5 2316/4885NOD1 83/4885

“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.