SCHEMBL4101495

SCHEMBL4101495

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.46
GRM4 Q14833 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RAB9A P51151 1/20 0.44
P2RX1 P51575 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44
IDO1 P14902 1/20 0.43
P2RY1 P47900 1/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.42
NPC1 O15118 1/20 0.41
ACP1 P24666 1/20 0.41
DHODH Q02127 1/20 0.41

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
SCHEMBL11255727 0.89 GRM4 (0.45) FADS1GRM4MEN1KMT2ARAB9A
SCHEMBL11258068 0.89 FADS1 (0.38) FADS1GRM4MEN1KMT2AMAPT
SCHEMBL891475 0.85 IDO1 (0.46) FADS1GRM4MEN1KMT2AMAPT
SCHEMBL13584365 0.84 IDO1 (0.47) MEN1KMT2AMAPTNPSR1RAB9A
SCHEMBL11093176 0.84 CYP1A2 (0.45) MEN1KMT2AMAPTNPSR1RAB9A
Hydrochloric Acid SCHEMBL16702230 0.83 IDO1 (0.44) FADS1GRM4MEN1KMT2AMAPT
SCHEMBL4108214 0.83 MEN1 (0.59) FADS1GRM4MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL13583810 0.82 IDO1 (0.45) MEN1KMT2AMAPTNPSR1RAB9A
SCHEMBL4113103 0.81 NPC1 (0.66) MEN1KMT2AMAPTRAB9AP2RX1
SCHEMBL11091737 0.80 ALDH1A1 (0.40) MEN1KMT2AMAPTRAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4446152-A SUBSTITUTED PHENYLAMIDINOUREA WILLIAM H. RORER, INC. (US) 1984-05-01 US claimed
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
US-4446152-A SUBSTITUTED PHENYLAMIDINOUREA WILLIAM H. RORER, INC. (US) 1984-05-01 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-1983000624-A1 PROMOTION OF FEED EFFICIENCY IN ANIMALS CHOU, BILLY, JA-RAY 1983-03-03 WO 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
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 FADS1 2698/4885GRM4 2235/4885MEN1 261/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 FADS1 3788/4885GRM4 4060/4885MEN1 294/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 FADS1 3249/4885GRM4 3481/4885MEN1 237/4885
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 FADS1 2520/4885GRM4 1104/4885MEN1 455/4885

“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.