SCHEMBL4100438

SCHEMBL4100438

N=C(NC(N)=O)Nc1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
HPGD P15428 2/20 0.55
RAB9A P51151 2/20 0.55
TSHR P16473 2/20 0.55
NPC1 O15118 1/20 0.55
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 1/20 0.51
THRB P10828 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TP53 P04637 1/20 0.49
MAPK10 P53779 1/20 0.49
KCNH2 Q12809 1/20 0.49
GFER P55789 1/20 0.49
KCNK3 O14649 1/20 0.49
IDO1 P14902 1/20 0.49
ESRRG P62508 2/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47

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
SCHEMBL4100442 0.87 IDO1 (0.51) MEN1KMT2AHPGDRAB9ATSHR
Hydrochloric Acid SCHEMBL16702701 0.85 IDO1 (0.50) MEN1KMT2AHPGDRAB9ATSHR
SCHEMBL4109329 0.83 ALDH1A1 (0.41) HPGDRAB9ATSHRNPC1ALDH1A1
SCHEMBL167713 0.83 MEN1 (0.67) MEN1KMT2AHPGDRAB9ATSHR
SCHEMBL30753398 0.82 MEN1 (0.60) MEN1KMT2AHPGDRAB9ATSHR
SCHEMBL173527 0.82 MEN1 (0.60) MEN1KMT2AHPGDRAB9ATSHR
SCHEMBL11089108 0.82 KMT2A (0.56) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL4108214 0.81 MEN1 (0.59) MEN1KMT2AHPGDRAB9ANPC1
SCHEMBL6898135 0.81 GAA (0.51) MEN1KMT2AHPGDRAB9ATSHR
SCHEMBL4100619 0.80 MAPT (0.60) MEN1KMT2ARAB9ATSHRMAPT

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 9 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
US-4326074-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 US disclosed
US-4115564-A Treatment of diarrhea with amidinoureas WILLIAM H. RORER, INC. (US) 1978-09-19 US disclosed
US-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 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 (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 MEN1 261/4885KMT2A 322/4885HPGD 608/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 MEN1 294/4885KMT2A 555/4885HPGD 1282/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 MEN1 237/4885KMT2A 949/4885HPGD 885/4885
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 MEN1 455/4885KMT2A 665/4885HPGD 539/4885

“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.