Sugi Predict

Sugi Predict / Compounds / SCHEMBL1727249

SCHEMBL1727249

SCHEMBL1727249

N=C(NO)c1ccnc(CO)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ S1PR1 P21453 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ KDM5C P41229 3/20 0.33
▸ KDM4A O75164 2/20 0.33
▸ KDM4B O94953 2/20 0.33
▸ KDM5B Q9UGL1 2/20 0.33
▸ RECQL P46063 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.31
▸ CSNK1D P48730 1/20 0.31
▸ CSNK1E P49674 1/20 0.31
▸ KDM4D Q6B0I6 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
SCHEMBL12512865 0.80 CYP1A2 (0.34) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL31656123 0.78 TAS1R3 (0.39) S1PR1KDM4D
SCHEMBL22637161 0.77 CYP1A2 (0.35) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL4394180 0.76 KDM4D (0.31) KDM4EKDM5CKDM4AKDM5BKDM4C
SCHEMBL2134993 0.76 KDM1A (0.42) KDM4EKDM5CKDM4AKDM5BKDM4C
SCHEMBL1872935 0.75 CYP1A2 (0.33) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL1179121 0.74 UHRF1 (0.48) KDM4E
SCHEMBL642118 0.74 RECQL (0.41) RECQL
SCHEMBL312499 0.74 GABRP (0.53) KDM4ES1PR1
SCHEMBL1727209 0.73 MEN1 (0.37) S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 — — US disclosed
CN-114269340-A KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2022-04-01 — — CN disclosed
EP-3962481-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 — — EP disclosed
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 — — WO disclosed
US-8791142-B2 Oxazole pyridine derivatives useful as S1P1 receptor agonists MERCK SERONO S.A. (CH) 2014-07-29 — — US disclosed
EP-2403849-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS Merck Serono S.A. (CH) 2012-01-11 — — EP disclosed
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO SA (CH) 2011-12-15 — — US disclosed
WO-2010100142-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO S.A. (CH) 2010-09-10 — — 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-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR5 CYP1A2 1968/4885POLB 4416/4885KDM4E 2674/4885
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 CYP1A2 3063/4885POLB 3959/4885KDM4E 1355/4885

“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.