SCHEMBL9915543

SCHEMBL9915543

COc1cc(Cl)cc(OCC(C)Nc2nc(N)nc(C(C)(C)F)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ATF1 P18846 1/20 0.31
NFKB1 P19838 1/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 3/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
MTNR1A P48039 3/20 0.31
MTNR1B P49286 3/20 0.31
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
HTR7 P34969 3/20 0.30
ADRA1D P25100 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
SCHEMBL27605123 0.94 LMNA (0.36) LMNAKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL3433356 0.87 LMNA (0.34) LMNAKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3433849 0.85 LMNA (0.40) LMNAKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL29352185 0.83 HTR7 (0.33) LMNAKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL22188696 0.83 HTR7 (0.33) LMNAKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL117903 0.83 HTR7 (0.33) LMNAKDM4ENPC1RAB9ASMN1; SMN2
Bromomethane SCHEMBL3305907 0.81 HTR7 (0.32) LMNAKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL7948892 0.79 HTR7 (0.36) LMNAKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9066422 0.77 DCPS (0.39) LMNAMAPTFFAR1HTR7ADRA1D
SCHEMBL9240771 0.77 ADRB2 (0.40) LMNANPC1RAB9ASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893016-B1 WATER-IN-OIL SUSPOEMULSIONS BAYER IP GMBH (DE) 2017-09-13 EP disclosed
EP-1651039-B1 OIL SUSPENSION CONCENTRATE CONTAINING DIFLUFENICAN BAYER IP GMBH (DE) 2017-01-04 EP disclosed
EP-1928232-B1 SOLID FORMULATION BAYER IP GMBH (DE) 2016-07-13 EP disclosed
EP-1571908-B1 OIL SUSPENSION CONCENTRATE BAYER CROPSCIENCE AG (DE) 2014-12-17 EP disclosed
US-8198214-B2 Solid formulation BAYER CROPSCIENCE AG (DE) 2012-06-12 US disclosed
US-8076268-B2 Liquid formulations containing dialkyl sulfosuccinate and hydroxyphenylpyruvate dioxygenase inhibitors BAYER CROPSCIENCE AG (DE) 2011-12-13 US disclosed
US-7867946-B2 Liquid formulation BAYER CROPSCIENCE AG (DE) 2011-01-11 US disclosed
US-20100234227-A1 MICROEMULSION CONCENTRATES BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
US-7776792-B2 Synergistic mixture of acetolactate synthase inhibitor and ester as herbicide BAYER CROPSCIENCE AG (DE) 2010-08-17 US disclosed
US-20100048516-A1 PENETRATION ENHANCER FOR FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-02-25 US disclosed
US-20080305953-A1 Liquid Formulations Containing Dialkyl Sulfosuccinate And Hydroxyphenylpyruvate Dioxygenase Inhibitors BAYER CROPSCIENCE AG (DE) 2008-12-11 US disclosed
US-20080153706-A1 Water-In-Oil Suspoemulsions BAYER CROPSCIENCE AG (DE) 2008-06-26 US disclosed
US-20070066487-A1 Solid formulation BAYER CROPSCIENCE GMBH (DE) 2007-03-22 US disclosed
US-20070054806-A1 Novel sulfonamide-comprising solid formulations BAYER CROPSCIENCE GMBH (DE) 2007-03-08 US disclosed
US-20070054805-A1 Novel sulfonamide-comprising solid formulations BAYER CROPSCIENCE GMBH (DE) 2007-03-08 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 (7 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-20100048516-A1 PENETRATION ENHANCER FOR FUNGICIDES DDT, DCPS, TYMP LMNA 4706/4885KDM4E 869/4885NPC1 2281/4885
US-20070054806-A1 Novel sulfonamide-comprising solid formulations SULT2A1, ARSA, SLC43A1 LMNA 4530/4885KDM4E 3059/4885NPC1 2375/4885
US-20080305953-A1 Liquid Formulations Containing Dialkyl Sulfosuccinate And Hydroxyphenylpyruvate Dioxygenase Inhibitors HPD, DDT, HAAO LMNA 4721/4885KDM4E 1509/4885NPC1 4097/4885
US-20100234227-A1 MICROEMULSION CONCENTRATES ADH1C, MGLL, ADH1A LMNA 4603/4885KDM4E 3160/4885NPC1 1267/4885
US-20080153706-A1 Water-In-Oil Suspoemulsions AQP1, PIGS, MGLL LMNA 1787/4885KDM4E 4588/4885NPC1 2907/4885
US-20070054805-A1 Novel sulfonamide-comprising solid formulations SULT2A1, ARSA, SLC43A1 LMNA 4389/4885KDM4E 3374/4885NPC1 2127/4885
US-20070066487-A1 Solid formulation SMS, SRM, STS LMNA 3472/4885KDM4E 1519/4885NPC1 1969/4885

“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.