Sugi Predict

Sugi Predict / Compounds / SCHEMBL1007277

SCHEMBL1007277

SCHEMBL1007277

CC(C)(C)OC(=O)Nc1cc(F)ccc1Br

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNQ4 P56696 3/20 0.45
▸ KCNQ5 Q9NR82 3/20 0.45
▸ CYP17A1 P05093 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ AAK1 Q2M2I8 3/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ BRD9 Q9H8M2 1/20 0.37

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
SCHEMBL16692867 0.88 KCNQ4 (0.47) KCNQ4KCNQ5CYP17A1RXFP1AAK1
SCHEMBL1008737 0.84 HPGD (0.49) RXFP1NPC1RAB9AMEN1HTT
SCHEMBL24509457 0.84 AAK1 (0.48) RXFP1AAK1NPC1RAB9AMEN1
SCHEMBL31021765 0.84 HPGD (0.49) RXFP1NPC1RAB9AMEN1HTT
SCHEMBL15614546 0.84 MAPT (0.51) KCNQ4KCNQ5CYP17A1RXFP1MEN1
SCHEMBL27398698 0.83 MAPT (0.51) KCNQ4KCNQ5RXFP1MEN1HTT
SCHEMBL1007870 0.82 RXFP1 (0.53) RXFP1MEN1HTTKMT2AALDH1A1
SCHEMBL31568826 0.82 HSP90AA1 (0.45) RAB9AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL20339041 0.82 NPC1 (0.39) CYP17A1RXFP1AAK1NPC1RAB9A
SCHEMBL826795 0.82 HDAC1 (0.50) KCNQ4KCNQ5CYP17A1RXFP1AAK1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110627655-B Synthetic method of 2-bromo-5-fluoro-4-nitroaniline and intermediate thereof 苏州旺山旺水生物医药有限公司 2022-09-20 — — CN disclosed
CN-110627655-A Synthetic method and intermediate of 2-bromo-5-fluoro-4-nitroaniline 苏州旺山旺水生物医药有限公司 2019-12-31 — — CN disclosed
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2018-11-22 — — US disclosed
EP-2440245-B1 BENZONAPHTHYRIDINE-CONTAINING VACCINES GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-12-06 — — EP disclosed
EP-2512478-B1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-04-19 — — EP disclosed
US-9597326-B2 Benzonapthyridine compositions and uses thereof GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-03-21 — — US disclosed
US-20160375132-A1 HOMOGENOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-12-29 — — US disclosed
US-9517263-B2 Benzonaphthyridine-containing vaccines GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-12-13 — — US disclosed
US-9408907-B2 Homogenous suspension of immunopotentiating compounds and uses thereof GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-08-09 — — US disclosed
EP-2268618-B1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2015-05-27 — — EP disclosed
EP-2268618-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-01-05 — — EP disclosed
WO-2010144734-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES NOVARTIS AG (CH) 2010-12-16 — — WO disclosed
EP-1709021-B1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS LILLY CO ELI (US) 2010-08-04 — — EP disclosed
EP-1709021-B1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS LILLY CO ELI (US) 2010-08-04 — — EP disclosed
WO-2009111337-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2009-09-11 — — WO disclosed
US-20090023917-A1 Selective Estrogen Receptor Modulators for the Treatment of Vasomotor Symptoms ELI LILLY AND COMPANY (US) 2009-01-22 — — US disclosed
US-20090023917-A1 Selective Estrogen Receptor Modulators for the Treatment of Vasomotor Symptoms ELI LILLY AND COMPANY (US) 2009-01-22 — — US disclosed
US-20090023917-A1 Selective Estrogen Receptor Modulators for the Treatment of Vasomotor Symptoms ELI LILLY AND COMPANY (US) 2009-01-22 — — US disclosed
EP-1709021-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS ELI LILLY AND COMPANY (US) 2006-10-11 — — EP disclosed
WO-2005073204-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS ELI LILLY AND COMPANY (US) 2005-08-11 — — 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 (3 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-20160375132-A1 HOMOGENOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF CD14, ICOS, CD69 KCNQ4 2069/4885KCNQ5 1738/4885CYP17A1 4068/4885
US-20090023917-A1 Selective Estrogen Receptor Modulators for the Treatment of Vasomotor Symptoms GPER1, ESR1, HSD17B11 KCNQ4 565/4885KCNQ5 338/4885CYP17A1 23/4885
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF HAMP, MAVS, MYD88 KCNQ4 1157/4885KCNQ5 1067/4885CYP17A1 3755/4885

“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.