SCHEMBL4092988

SCHEMBL4092988

CN(C(=N)N)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
PHGDH O43175 1/20 0.45
MGLL Q99685 1/20 0.45
NOS2 P35228 3/20 0.40
ALDH1A1 P00352 2/20 0.36
ADH1C P00326 2/20 0.34
ADH1A P07327 2/20 0.34
ATM Q13315 1/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 3/20 0.31
NPC1 O15118 2/20 0.30
POLB P06746 2/20 0.30

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
SCHEMBL10431258 1.00 FAAH (0.45) FAAHPHGDHMGLLNOS2ALDH1A1
SCHEMBL4104471 0.98 FAAH (0.48) FAAHPHGDHMGLLNOS2ALDH1A1
Hydrochloric Acid SCHEMBL31256658 0.87
SCHEMBL4104765 0.79 PIK3CD (0.39) NOS2
SCHEMBL16187050 0.78 ALDH1A1 (0.38) ALDH1A1POLB
SCHEMBL29494124 0.76 OPRM1 (0.33) FAAHPHGDHMGLLNOS2ATM
SCHEMBL18618772 0.76
SCHEMBL14344816 0.75 PHGDH (0.50) FAAHPHGDHMGLLALDH1A1ADH1C
SCHEMBL967397 0.75 FAAH (0.45) FAAHPHGDHMGLLALDH1A1ADH1C
SCHEMBL4111456 0.75 NOS2 (0.38) NOS2ALDH1A1ATMTSHR

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
CN-1037346-C Therapeutic agents BOOTS CO LTD (GB) 1998-02-11 CN disclosed
CN-1057648-A Therapeutical agent BOOTS CO PLC (GB) 1992-01-08 CN disclosed
EP-0385038-A1 Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them The Boots Company PLC (GB) 1990-09-05 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 FAAH 461/4885PHGDH 1301/4885MGLL 1655/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 FAAH 3679/4885PHGDH 2675/4885MGLL 3377/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 FAAH 2909/4885PHGDH 2020/4885MGLL 2581/4885
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 FAAH 1550/4885PHGDH 1042/4885MGLL 1257/4885

“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.