Sugi Predict

Sugi Predict / Compounds / SCHEMBL1448702

SCHEMBL1448702

SCHEMBL1448702

COC(=O)NCCc1c(F)ccc([N+](=O)[O-])c1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ MTNR1A P48039 3/20 0.35
▸ MTNR1B P49286 3/20 0.35
▸ NQO2 P16083 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ABCC4 O15439 1/20 0.34
▸ PLIN1 O60240 1/20 0.34
▸ CACNA1F O60840 1/20 0.34
▸ GMNN O75496 1/20 0.34

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
SCHEMBL1448737 0.85 KMT2A (0.37) SMN1; SMN2MAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL1448297 0.82 FBP1 (0.43) ALDH1A1LMNAKMT2A
SCHEMBL1449060 0.82 CYP4A11 (0.40) SMN1; SMN2MAPK1ALDH1A1L3MBTL1CYP1A2
SCHEMBL1448819 0.81 ABL1 (0.39) SMN1; SMN2MAPK1ALDH1A1L3MBTL1CYP1A2
SCHEMBL4101146 0.78 PTPN1 (0.46) SMN1; SMN2NPC1RAB9AMAPK1PTPN1
SCHEMBL1448192 0.78 TDP1 (0.40) SMN1; SMN2MAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL30395006 0.76 SMN1; SMN2 (0.42) SMN1; SMN2RAB9AMAPK1ALDH1A1CYP1A2
SCHEMBL1448325 0.74 KMT2A (0.44) SMN1; SMN2MAPK1ALDH1A1L3MBTL1CYP1A2
SCHEMBL1448986 0.73 SMN1; SMN2 (0.41) SMN1; SMN2RAB9AMAPK1ALDH1A1CYP1A2
SCHEMBL914504 0.73 SMN1; SMN2 (0.42) SMN1; SMN2RAB9AMAPK1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784399-B1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2011-06-15 — — EP disclosed
US-7910585-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2011-03-22 — — US disclosed
US-7910585-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2011-03-22 — — US disclosed
US-7910585-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2011-03-22 — — US disclosed
US-20080293708-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2008-11-27 — — US disclosed
US-20080293708-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2008-11-27 — — US disclosed
US-20080293708-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2008-11-27 — — US disclosed
EP-1784399-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 — — EP disclosed
WO-2006021457-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 — — 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 (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-20080293708-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS SMN1; SMN2 1651/4885NPC1 1225/4885RAB9A 2892/4885

“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.