SCHEMBL4095003

SCHEMBL4095003

N=C(N)Nc1nc(O)c2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 5/20 0.43
▸ APP P05067 4/20 0.43
▸ ADORA3 P0DMS8 3/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ LMNA P02545 4/20 0.38
▸ ALOX12 P18054 2/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38

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
SCHEMBL2330055 0.82 SMN1; SMN2 (0.54) ACHEAPPMEN1KMT2AMAPT
SCHEMBL31457433 0.82 SMN1; SMN2 (0.54) ACHEAPPMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL16908919 0.81 SMN1; SMN2 (0.53) ACHEAPPMEN1KMT2AMAPT
SCHEMBL6693501 0.81 MAPT (0.64) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL11156129 0.79 MAPT (0.61) ACHEAPPADORA3MEN1KMT2A
SCHEMBL27809369 0.78 KDM4E (0.41) ACHEAPPADORA3MEN1KMT2A
SCHEMBL27581317 0.76 MAPT (0.50) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL6701729 0.75 ADORA2A (0.57) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL6699506 0.75 GAA (0.52) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL6693271 0.75 MAPT (0.52) APPMEN1KMT2AMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (4 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-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA ACHE 740/4885APP 2383/4885ADORA3 2033/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 ACHE 2175/4885APP 2039/4885ADORA3 3805/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 ACHE 2666/4885APP 1776/4885ADORA3 3872/4885
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 ACHE 482/4885APP 898/4885ADORA3 2224/4885

“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.

Send feedback