SCHEMBL116029

SCHEMBL116029

O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)nc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 11/20 0.74
KDM4E B2RXH2 2/20 0.73
PDE10A Q9Y233 2/20 0.73
LMNA P02545 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
POLB P06746 1/20 0.70
KMT2A Q03164 1/20 0.61

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
SCHEMBL13199978 0.89 DHODH (0.70) DHODHKDM4EPDE10ALMNASMN1; SMN2
SCHEMBL6184523 0.89 EIF4A1 (0.58) DHODHKDM4EPDE10ALMNASMN1; SMN2
SCHEMBL6181595 0.87 ALDH1A1 (0.59) DHODHKDM4EPDE10ALMNASMN1; SMN2
SCHEMBL2373465 0.86 KDM4E (0.69) DHODHKDM4EPDE10ALMNASMN1; SMN2
SCHEMBL8615454 0.86 DHODH (0.74) DHODHKDM4EPDE10ALMNASMN1; SMN2
SCHEMBL29536364 0.85 DHODH (1.00) DHODHKDM4EPDE10ALMNASMN1; SMN2
SCHEMBL2467110 0.85 DHODH (1.00) DHODHKDM4EPDE10ALMNASMN1; SMN2
Cinchophen SCHEMBL29376617 0.85 KDM4E (1.00) DHODHKDM4EPDE10ALMNASMN1; SMN2
Cinchophen SCHEMBL7588217 0.85 KDM4E (1.00) DHODHKDM4EPDE10ALMNASMN1; SMN2
Cinchophen SCHEMBL25519 0.85 KDM4E (1.00) DHODHKDM4EPDE10ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 US disclosed
US-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 US disclosed
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
WO-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
WO-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 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 (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-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF AARS1, GARS1, TRMT1 DHODH 2635/4885KDM4E 1144/4885PDE10A 3991/4885
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ACACA, ACACB, ACAT1 DHODH 1103/4885KDM4E 1761/4885PDE10A 1501/4885

“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.