SCHEMBL11865969

SCHEMBL11865969

O=C(Nc1nnc(C(F)(F)F)s1)Oc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.60
LMNA P02545 3/20 0.60
TSHR P16473 2/20 0.60
HSD17B10 Q99714 2/20 0.60
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
POLB P06746 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MIF P14174 1/20 0.56
NPC1 O15118 4/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 2/20 0.54
MAPT P10636 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ATM Q13315 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
GLS O94925 1/20 0.51

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
SCHEMBL23966723 0.86 ALDH1A1 (0.60) HTTLMNATSHRHSD17B10KMT2A
SCHEMBL13499907 0.80 KMT2A (0.61) LMNAKMT2AMEN1POLBALDH1A1
SCHEMBL6215399 0.78 NPC1 (0.60) HSD17B10KMT2AMEN1POLBALDH1A1
SCHEMBL9156058 0.78 ALDH1A1 (0.60) LMNATSHRKMT2AMEN1POLB
SCHEMBL5332558 0.78 ALDH1A1 (0.64) KMT2AMEN1POLBALDH1A1MIF
SCHEMBL11875075 0.77 NPC1 (0.62) HTTLMNATSHRHSD17B10KMT2A
SCHEMBL21533438 0.77 ALDH1A1 (0.69) HTTLMNATSHRHSD17B10POLB
SCHEMBL13453221 0.77 CCNE1 (0.61) KMT2AMEN1POLBALDH1A1MIF
SCHEMBL1011592 0.76 POLB (0.68) HTTLMNATSHRHSD17B10KMT2A
SCHEMBL3786921 0.75 POLB (0.66) HTTLMNAKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101948466-B Asymmetric heterocyclic ring substituent urea compound and preparation method and application thereof UNIV NANKAI 2014-04-16 CN disclosed
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2014-02-06 US disclosed
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2014-02-06 US disclosed
CN-101128427-B Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB 2013-03-27 CN disclosed
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-7906645-B2 Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB (SE) 2011-03-15 US disclosed
US-7906645-B2 Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB (SE) 2011-03-15 US disclosed
CN-101948466-A Asymmetric heterocyclic ring substituent urea compound and preparation method and application thereof UNIV NANKAI 2011-01-19 CN disclosed
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists ASTRAZENECA AB (SE) 2009-04-16 US disclosed
CN-101128427-A Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB (SE) 2008-02-20 CN disclosed
US-3990879-A SUBSTITUTED 1-THIADIAZOLYL-3-ARYL-UREAS ELI LILLY AND COMPANY (US) 1976-11-09 US 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-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 HTT 4425/4885LMNA 1955/4885TSHR 997/4885
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS CCR2, CCR3, CXCR2 HTT 4395/4885LMNA 1933/4885TSHR 1018/4885
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists CCR2, CCR3, CXCR2 HTT 4385/4885LMNA 1858/4885TSHR 973/4885

“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.