SCHEMBL9969947

SCHEMBL9969947

CC(=O)Cn1nc(C(F)(F)F)nc1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.33
CCR1 P32246 1/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.32
CXCR3 P49682 3/20 0.32
KCNH2 Q12809 2/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 2/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL16519510 0.85 LMNA (0.42) ALDH1A1KMT2AKDM4ECCR1RECQL
SCHEMBL13170041 0.81 ALDH1A1 (0.35) ALDH1A1KMT2AKDM4ERECQLLMNA
SCHEMBL13995803 0.76 L3MBTL1 (0.41) ALDH1A1KMT2ALMNACXCR3MAPT
SCHEMBL15491702 0.68 ALDH1A1 (0.38) ALDH1A1KMT2AL3MBTL1
SCHEMBL7797665 0.68 LMNA (0.63) ALDH1A1KMT2AKDM4ECCR1LMNA
SCHEMBL13169959 0.68 LMNA (0.45) ALDH1A1KMT2AKDM4ERECQLLMNA
SCHEMBL1835751 0.67 HSD17B10 (0.49) ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL18879773 0.67 CNR1 (0.37) ALDH1A1KDM4ELMNAMAPTNPC1
SCHEMBL15491583 0.67 KDM4E (0.69) KDM4ECCR1RECQLKCNH2
SCHEMBL19524908 0.65 LMNA (0.43) ALDH1A1KMT2AKDM4ELMNATP53

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-8835427-B2 Fungicidal heterocyclic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2014-09-16 US disclosed
US-8722678-B2 Fungicidal oximes and hydrazones E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-13 US disclosed
US-20130261154-A1 FUNGICIDAL AZOCYCLIC AMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-03 US disclosed
US-20130030002-A1 FUNGICIDAL OXIMES AND HYDRAZONES E I DUPONT DE NEMOURS AND COMPANY (US) 2013-01-31 US disclosed
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-06 US disclosed
WO-2012082580-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-21 WO disclosed
WO-2011146182-A1 FUNGICIDAL OXIMES AND HYDRAZONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-24 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-20130261154-A1 FUNGICIDAL AZOCYCLIC AMIDES CYP51A1, Q6ZSR9, NOX1 ALDH1A1 1346/4885KMT2A 1514/4885KDM4E 399/4885
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, NOX3, CYP1A1 ALDH1A1 749/4885KMT2A 3460/4885KDM4E 1409/4885
US-20130030002-A1 FUNGICIDAL OXIMES AND HYDRAZONES NOX1, QSOX1, XDH ALDH1A1 418/4885KMT2A 2154/4885KDM4E 1646/4885

“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.