SCHEMBL4094798

SCHEMBL4094798

CNC(=N)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
EPHX2 P34913 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MITF O75030 1/20 0.49
POLB P06746 1/20 0.47
FFAR1 O14842 1/20 0.47
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
PTPN11 Q06124 1/20 0.46
PKM P14618 1/20 0.45
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
TMPRSS6 Q8IU80 1/20 0.44

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 SCHEMBL7561667 0.98 ALDH1A1 (0.49) ALDH1A1EPHX2NR1H4MEN1KMT2A
SCHEMBL7296941 0.86 ALDH1A1 (0.52) ALDH1A1EPHX2NR1H4MEN1KMT2A
SCHEMBL25882267 0.85 HDAC2 (0.53) MEN1KMT2APOLBCA2TP53
SCHEMBL13911473 0.81 MEN1 (0.61) ALDH1A1MEN1KMT2APOLBPTPN11
SCHEMBL3885202 0.80 EPHX2 (0.62) ALDH1A1EPHX2NR1H4MEN1KMT2A
SCHEMBL5735649 0.79 EPHX2 (0.45) ALDH1A1EPHX2NR1H4MEN1KMT2A
Acetic Acid SCHEMBL27669514 0.78 NAPRT (0.57) ALDH1A1EPHX2MEN1KMT2APOLB
SCHEMBL28050017 0.78 F2 (0.50) ALDH1A1EPHX2NR1H4MEN1KMT2A
SCHEMBL7285910 0.78 KMT2A (0.44) ALDH1A1EPHX2NR1H4MEN1KMT2A
SCHEMBL30122916 0.77 SMN1; SMN2 (0.48) ALDH1A1TP53PTPN11SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902037-B1 2,4-DIAMINO-PYRIMIDINES USED AS AURORA INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2009-09-02 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-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 ALDH1A1 1963/4885EPHX2 3781/4885NR1H4 2905/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 ALDH1A1 1279/4885EPHX2 2648/4885NR1H4 3875/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 ALDH1A1 1073/4885EPHX2 2936/4885NR1H4 3427/4885
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 ALDH1A1 1610/4885EPHX2 3448/4885NR1H4 2022/4885

“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.