Sugi Predict

Sugi Predict / Compounds / SCHEMBL2476170

SCHEMBL2476170

SCHEMBL2476170

ON=C(Cl)c1ccc(F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.50
▸ CES1 P23141 2/20 0.50
▸ KCNQ3 O43525 4/20 0.38
▸ KCNQ2 O43526 4/20 0.38
▸ KCNE1 P15382 1/20 0.38
▸ KCNQ1 P51787 1/20 0.38
▸ PLA2G7 Q13093 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ KCNQ5 Q9NR82 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CHRNA1 P02708 1/20 0.35
▸ CHRNG P07510 1/20 0.35
▸ CHRNB1 P11230 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35

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
SCHEMBL8249580 1.00 CES2 (0.50) CES2CES1KCNQ3KCNQ2KCNE1
SCHEMBL2476167 1.00 CES2 (0.50) CES2CES1KCNQ3KCNQ2KCNE1
SCHEMBL5798393 0.83 KCNQ3 (0.42) CES2CES1KCNQ3KCNQ2KCNE1
SCHEMBL2117699 0.83 KCNQ3 (0.42) CES2CES1KCNQ3KCNQ2KCNE1
SCHEMBL5799965 0.83 KCNQ3 (0.42) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL5799966 0.83 KCNQ3 (0.42) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL6070618 0.82 KDM1A (0.37) CES2CES1RAB9AMAOB
SCHEMBL5796393 0.82 IDO1 (0.41) CES2CES1RAB9AMAOB
SCHEMBL3118316 0.82 HDAC1 (0.49) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL6070626 0.82 KDM1A (0.37) CES2CES1RAB9AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751877-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2017-09-05 — — US disclosed
EP-2897956-B1 NOVEL BICYCLIC PYRIDINONES PFIZER (US) 2016-11-09 — — EP disclosed
US-20160024088-A1 Novel Pyrido[1,2-a]Pryazines And Their Use in the Treatment of Neurodegenerative and Neurological Disorders PFIZER INC. 2016-01-28 — — US disclosed
US-9193726-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2015-11-24 — — US disclosed
EP-2767536-B1 Isoxazolo-pyridine derivatives HOFFMANN LA ROCHE (CH) 2015-09-02 — — EP disclosed
EP-2897956-A1 NOVEL BICYCLIC PYRIDINONES Pfizer Inc. (US) 2015-07-29 — — EP disclosed
US-9073908-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2015-07-07 — — US disclosed
US-20150072990-A1 Novel Pyrido[1,2-a]Pryazines And Their Use In The Treatment of Neurodegenerative and Neurological Disorders PFIZER INC. 2015-03-12 — — US disclosed
EP-2227467-B1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-12-31 — — EP disclosed
US-8916564-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2014-12-23 — — US disclosed
EP-1968973-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 — — EP disclosed
EP-1437349-B9 SUBSTITUTED ISOXAZOLES AND THE USE THEREOF AS ANTIBIOTICS S A L V A T LAB SA (ES) 2008-09-10 — — EP disclosed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 — — US disclosed
EP-1437349-B1 SUBSTITUTED ISOXAZOLES AND THE USE THEREOF AS ANTIBIOTICS S A L V A T LAB SA (ES) 2007-08-15 — — EP disclosed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 — — US disclosed
WO-2007074078-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-05 — — WO disclosed
US-20060166906-A1 6-O-substituted erythromycin derivatives having improved gastrointestinal tolerance ABBOTT LABORATORIES 2006-07-27 — — US disclosed
US-20050014806-A1 Substituted isoxazoles and their use as antibiotics LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2005-01-20 — — US disclosed
CN-1556797-A Substituted isoxazole compounds and their use as antibiotics S.A.L.V.A.T.ʵ�������޹�˾ 2004-12-22 — — CN disclosed
EP-1437349-A1 SUBSTITUTED ISOXAZOLES AND THE USE THEREOF AS ANTIBIOTICS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-07-14 — — EP 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 (5 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-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives GABRA5, GABRA4, GABRA1 CES2 3179/4885CES1 1483/4885KCNQ3 1275/4885
US-20060166906-A1 6-O-substituted erythromycin derivatives having improved gastrointestinal tolerance CYP2D6, CYP2B6, UGT1A6 CES2 210/4885CES1 134/4885KCNQ3 2087/4885
US-20150072990-A1 Novel Pyrido[1,2-a]Pryazines And Their Use In The Treatment of Neurodegenerative and Neurological Disorders PRNP, SNCA, PSEN1 CES2 1782/4885CES1 1964/4885KCNQ3 1828/4885
US-20160024088-A1 Novel Pyrido[1,2-a]Pryazines And Their Use in the Treatment of Neurodegenerative and Neurological Disorders PRNP, SNCA, PSEN1 CES2 1782/4885CES1 1964/4885KCNQ3 1828/4885
US-20050014806-A1 Substituted isoxazoles and their use as antibiotics XDH, SCO2, HAX1 CES2 463/4885CES1 440/4885KCNQ3 2729/4885

“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.