SCHEMBL4097426

SCHEMBL4097426

N=C(NC(N)=O)Nc1ccc(F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.53
NPC1 O15118 5/20 0.53
ALDH1A1 P00352 3/20 0.48
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAOB P27338 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43
KLK1 P06870 1/20 0.42
KLK5 Q9Y337 1/20 0.42

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
SCHEMBL4097428 0.86 RAB9A (0.44) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL11256285 0.86 PLAU (0.43) RAB9ANPC1ALDH1A1TSHRMEN1
SCHEMBL6699635 0.86 MAOB (0.47) RAB9ANPC1ALDH1A1MAPTMAOB
SCHEMBL4103669 0.86 SLC2A1 (0.56) RAB9ANPC1ALDH1A1SMN1; SMN2TSHR
SCHEMBL6698612 0.86 IDO1 (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL11255183 0.86 KIF11 (0.49) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL11253879 0.86 PLAU (0.46) RAB9ANPC1ALDH1A1TP53MEN1
SCHEMBL11259118 0.84 KCNQ3 (0.45) ALDH1A1SMN1; SMN2TSHRLMNAMAPK1
SCHEMBL4795850 0.82 ALDH1A1 (0.61) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL11258189 0.81 LMNA (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2TSHR

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 14 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-4562209-A Promotion of feed efficiency in animals WILLIAM H. RORER, INC. (US) 1985-12-31 US disclosed
EP-0086193-A1 THE TREATMENT AND PREVENTION OF SCOURS IN ANIMALS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1983-08-24 EP disclosed
EP-0073276-A1 A method of increasing the feed efficiency of animals, and compositions for use in such a method RORER INTERNATIONAL (OVERSEAS) INC. (US) 1983-03-09 EP disclosed
WO-1983000626-A1 THE TREATMENT AND PREVENTION OF SCOURS IN ANIMALS RORER INT OVERSEAS (US) 1983-03-03 WO disclosed
US-4340609-A Amidinourea derivative veterinary compositions for suppression of parasitemia WILLIAM H. RORER, INC. (US) 1982-07-20 US disclosed
US-4326074-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 US disclosed
US-4285972-A Method of treating scours WILLIAM H. RORER, INC. (US) 1981-08-25 US disclosed
US-4115564-A Treatment of diarrhea with amidinoureas WILLIAM H. RORER, INC. (US) 1978-09-19 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 RAB9A 2870/4885NPC1 4841/4885ALDH1A1 1963/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 RAB9A 1539/4885NPC1 4782/4885ALDH1A1 1279/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 RAB9A 2224/4885NPC1 4747/4885ALDH1A1 1073/4885
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 RAB9A 1450/4885NPC1 4179/4885ALDH1A1 1610/4885

“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.