SCHEMBL4099321

SCHEMBL4099321

N=C(N)NC(=N)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.53
EPHX2 P34913 1/20 0.52
PTGS1 P23219 3/20 0.46
RAB9A P51151 2/20 0.45
TGM2 P21980 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
TRPV1 Q8NER1 2/20 0.42
IDO1 P14902 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
CDK1 P06493 1/20 0.41
RORC P51449 1/20 0.41

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
Hydrochloric Acid SCHEMBL16701795 0.98 KIF11 (0.51) KIF11EPHX2PTGS1RAB9ATGM2
SCHEMBL4099319 0.86 KIF11 (0.63) KIF11EPHX2PTGS1RAB9ATGM2
SCHEMBL6437577 0.85 KIF11 (0.59) KIF11EPHX2PTGS1RAB9ATGM2
SCHEMBL3068902 0.84 F2 (0.43) RAB9ANPC1MAPTALDH1A1
Hydrochloric Acid SCHEMBL11253689 0.83 KIF11 (0.58) KIF11EPHX2PTGS1RAB9ATGM2
SCHEMBL11058297 0.83 EPHX2 (0.68) KIF11EPHX2PTGS1RAB9ATGM2
SCHEMBL11057676 0.83 KIF11 (0.63) KIF11EPHX2PTGS1MAPTALDH1A1
SCHEMBL11816841 0.82 RAB9A (0.57) KIF11EPHX2PTGS1RAB9ATGM2
SCHEMBL4099568 0.82 MAPT (0.46) MAPTCA12CA1CA2CA9
SCHEMBL9667240 0.82 KIF11 (0.53) KIF11EPHX2RAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200277255-A1 BIGUANIDE COMPOUND AND USE THEREOF IMMUNOMET THERAPEUTICS INC. 2020-09-03 US claimed
US-10626085-B2 Biguanide compound and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2020-04-21 US claimed
US-20180044283-A1 BIGUANIDE COMPOUND AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2018-02-15 US claimed
EP-3222614-A2 BIGUANIDE COMPOUND AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-09-27 EP claimed
US-11572341-B2 Biguanide compound and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2023-02-07 US disclosed
US-11572341-B2 Biguanide compound and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2023-02-07 US disclosed
US-20200277255-A1 BIGUANIDE COMPOUND AND USE THEREOF IMMUNOMET THERAPEUTICS INC. 2020-09-03 US disclosed
US-20200277255-A1 BIGUANIDE COMPOUND AND USE THEREOF IMMUNOMET THERAPEUTICS INC. 2020-09-03 US disclosed
EP-3222614-B1 BIGUANIDE COMPOUND AND USE THEREOF IMMUNOMET THERAPEUTICS INC (US) 2020-07-29 EP disclosed
US-10626085-B2 Biguanide compound and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2020-04-21 US disclosed
US-10626085-B2 Biguanide compound and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2020-04-21 US disclosed
US-20180044283-A1 BIGUANIDE COMPOUND AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2018-02-15 US disclosed
US-20090123513-A1 Antimicrobial Biguanide Metal Complexes SMITH & NEPHEW PLC (GB) 2009-05-14 US disclosed
CN-101253182-A Antimicrobial biguanide metal complexes SMITH & NEPHEW (GB) 2008-08-27 CN disclosed
EP-1902059-A1 ANTIMICROBIAL BIGUANIDE METAL COMPLEXES Smith & Nephew, PLC (GB) 2008-03-26 EP disclosed
WO-2007000590-A1 ANTIMICROBIAL BIGUANIDE METAL COMPLEXES SMITH & NEPHEW PLC (GB) 2007-01-04 WO disclosed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US disclosed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 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 (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-20090123513-A1 Antimicrobial Biguanide Metal Complexes GLMN, SOD1, MB KIF11 4660/4885EPHX2 4638/4885PTGS1 455/4885
US-10626085-B2 Biguanide compound and use thereof MKI67, GCG, GCKR KIF11 2808/4885EPHX2 3539/4885PTGS1 119/4885
US-20180044283-A1 BIGUANIDE COMPOUND AND USE THEREOF MKI67, GCG, GCKR KIF11 2808/4885EPHX2 3539/4885PTGS1 119/4885
US-11572341-B2 Biguanide compound and use thereof MKI67, GCG, GCKR KIF11 2808/4885EPHX2 3539/4885PTGS1 119/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 KIF11 1591/4885EPHX2 2936/4885PTGS1 3221/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT KIF11 2804/4885EPHX2 3448/4885PTGS1 1426/4885
US-20200277255-A1 BIGUANIDE COMPOUND AND USE THEREOF MKI67, GCG, GCKR KIF11 2808/4885EPHX2 3539/4885PTGS1 119/4885

“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.