Sugi Predict

Sugi Predict / Compounds / SCHEMBL21884625

SCHEMBL21884625

SCHEMBL21884625

N#Cc1cc(Cl)c(O)c(C(=O)NC(=N)N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 1/20 0.47
▸ AKR1C2 P52895 2/20 0.38
▸ AKR1C1 Q04828 2/20 0.38
▸ FLT1 P17948 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ TMPRSS4 Q9NRS4 2/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ PLAU P00749 2/20 0.34
▸ GPR35 Q9HC97 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ TBXAS1 P24557 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ PLAT P00750 1/20 0.34
▸ ADRA1D P25100 1/20 0.33
▸ P2RX1 P51575 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
SCHEMBL21884643 0.77 TMPRSS4 (0.51) TMPRSS4CASP1PLAUF2F10
Hydrochloric Acid SCHEMBL8507203 0.70 TTR (0.47) PLAUF2F10PLATTTR
SCHEMBL4897669 0.70 TTR (0.52) ACLYAKR1C2AKR1C1CASP1GPR35
SCHEMBL136860 0.70 TTR (0.52) ACLYAKR1C2AKR1C1CASP1GPR35
Water SCHEMBL10768309 0.70 TTR (0.52) ACLYAKR1C2AKR1C1CASP1GPR35
SCHEMBL8446637 0.70 PLAU (0.40) AKR1C2AKR1C1PLAUPTGS1TBXAS1
Hydrochloric Acid SCHEMBL8442763 0.69 PLAU (0.39) AKR1C2AKR1C1PLAUPTGS1TBXAS1
SCHEMBL7799854 0.68 PYGL (0.46) MAPK1MEN1KMT2A
SCHEMBL30819065 0.67 PPARG (0.51) FLT1FLT4KDRTMPRSS4P2RX1
Hydrochloric Acid SCHEMBL7797878 0.67 PYGL (0.45) MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 — — US disclosed
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 — — US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 — — US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 — — US disclosed
WO-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 — — WO 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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 ACLY 325/4885AKR1C2 451/4885AKR1C1 507/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 ACLY 4006/4885AKR1C2 4469/4885AKR1C1 4565/4885

“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.