SCHEMBL4100068

SCHEMBL4100068

N=C(N)N/N=C/c1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
GRIN2D O15399 2/20 0.55
GRIN3B O60391 2/20 0.55
GRIN1 Q05586 2/20 0.55
GRIN2A Q12879 2/20 0.55
GRIN2B Q13224 2/20 0.55
GRIN2C Q14957 2/20 0.55
GRIN3A Q8TCU5 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
LMNA P02545 3/20 0.53
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GUSB P08236 1/20 0.50
KMT2A Q03164 2/20 0.49

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
SCHEMBL4100069 1.00 MAPT (0.55) MAPTGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL5703148 0.98 GRIN2D (0.56) MAPTGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL5703153 0.98 GRIN2D (0.56) MAPTGRIN2DGRIN3BGRIN1GRIN2A
Acetic Acid SCHEMBL31105779 0.92 CYP1A2 (0.57) MAPTGRIN2DGRIN3BGRIN1GRIN2A
Acetic Acid SCHEMBL21519399 0.92 CYP1A2 (0.57) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18131591 0.87 HTT (0.48) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19449699 0.87 CYP1A2 (0.57) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31105659 0.86 TTR (0.49) MAPTGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL17560953 0.85 CYP1A2 (0.56) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11877435 0.84 LMNA (0.45) MAPTGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180111896-A1 INHIBITORS AND THEIR USES MEDICAL RESEARCH COUNCIL (GB) 2018-04-26 US claimed
EP-3280405-A1 INHIBITORS AND THEIR USES Medical Research Council (GB) 2018-02-14 EP claimed
WO-2016162689-A1 INHIBITORS AND THEIR USES MEDICAL RESEARCH COUNCIL (GB) 2016-10-13 WO claimed
US-11337941-B2 Inhibitors and their uses UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2022-05-24 US disclosed
US-11337941-B2 Inhibitors and their uses UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2022-05-24 US disclosed
US-11331286-B2 Inhibitors and their uses UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2022-05-17 US disclosed
US-11331286-B2 Inhibitors and their uses UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2022-05-17 US disclosed
US-11154519-B2 Inhibitors and their uses UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2021-10-26 US disclosed
US-11154519-B2 Inhibitors and their uses UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2021-10-26 US disclosed
EP-3280405-B1 INHIBITORS AND THEIR USES RES & INNOVATION UK (GB) 2021-07-07 EP disclosed
EP-3280405-B1 INHIBITORS AND THEIR USES RES & INNOVATION UK (GB) 2021-07-07 EP disclosed
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
US-7504228-B2 Integrin linked kinase modulation of monocyte activation QLT INC. (CA) 2009-03-17 US disclosed
US-7504228-B2 Integrin linked kinase modulation of monocyte activation QLT INC. (CA) 2009-03-17 US 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
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 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 (8 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-20180111896-A1 INHIBITORS AND THEIR USES PPP1R1B, PPP5C, PPP1R15A MAPT 112/4885GRIN2D 4749/4885GRIN3B 4192/4885
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA MAPT 2845/4885GRIN2D 3517/4885GRIN3B 3422/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 MAPT 2382/4885GRIN2D 4051/4885GRIN3B 3694/4885
US-11154519-B2 Inhibitors and their uses PPP1R1B, PPP5C, PPP1R15A MAPT 112/4885GRIN2D 4749/4885GRIN3B 4192/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 MAPT 2407/4885GRIN2D 3948/4885GRIN3B 3418/4885
US-11331286-B2 Inhibitors and their uses PPP1R1B, PPP5C, PPP1R15A MAPT 112/4885GRIN2D 4749/4885GRIN3B 4192/4885
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 MAPT 3332/4885GRIN2D 1364/4885GRIN3B 2065/4885
US-11337941-B2 Inhibitors and their uses PPP1R1B, PPP5C, PPP1R15A MAPT 112/4885GRIN2D 4749/4885GRIN3B 4192/4885

“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.