SCHEMBL4099566

SCHEMBL4099566

N=C(NC(N)=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
P2RX1 P51575 7/20 0.51
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
JUN P05412 2/20 0.49
GPR35 Q9HC97 1/20 0.49
IKBKE Q14164 2/20 0.48
P2RX4 Q99571 1/20 0.48
P2RX7 Q99572 1/20 0.48
TACR1 P25103 1/20 0.48
LMNA P02545 1/20 0.47
IKBKB O14920 1/20 0.47
ACP1 P24666 1/20 0.46

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
SCHEMBL4099568 0.86 MAPT (0.46) MAPTP2RX1NFKB1NFKB2RELA
Hydrochloric Acid SCHEMBL16701755 0.85 MAPT (0.45) MAPTP2RX1NFKB1NFKB2RELA
SCHEMBL4100619 0.84 MAPT (0.60) MAPTP2RX1LMNA
SCHEMBL4099319 0.83 KIF11 (0.63) MAPT
SCHEMBL4488889 0.82 MAPT (0.61) MAPTP2RX1NFKB1NFKB2RELA
SCHEMBL14458130 0.82 MAPT (0.55) MAPTP2RX1NFKB1NFKB2RELA
SCHEMBL11095766 0.81 P2RX1 (0.39) MAPTP2RX1GPR35IKBKB
Hydrochloric Acid SCHEMBL5598006 0.80 MAPT (0.53) MAPTP2RX1NFKB1NFKB2RELA
SCHEMBL11052381 0.78 MAPT (0.54) MAPTP2RX1GPR35P2RX4P2RX7
SCHEMBL11884384 0.78 MAPT (0.52) MAPTP2RX1NFKB1NFKB2RELA

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
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-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 MAPT 2845/4885P2RX1 3981/4885NFKB1 2960/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 MAPT 2382/4885P2RX1 4159/4885NFKB1 1408/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 MAPT 2407/4885P2RX1 4128/4885NFKB1 2317/4885
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 3332/4885P2RX1 4735/4885NFKB1 2934/4885

“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.