SCHEMBL4099500

SCHEMBL4099500

N=C(N)NCc1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.52
F7 P08709 1/20 0.52
NPC1 O15118 1/20 0.48
TAAR1 Q96RJ0 3/20 0.47
C1S P09871 1/20 0.47
ALOX5 P09917 1/20 0.47
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
MTOR P42345 1/20 0.46
MAPT P10636 1/20 0.45
APP P05067 2/20 0.44
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL21556969 0.83 TAAR1 (0.57) F10F7NPC1TAAR1C1S
SCHEMBL15125619 0.82 AOC3 (0.49) F10F7
SCHEMBL31540904 0.80 LOXL2 (0.55) F10NPC1MAPTCYP1A2CYP2D6
SCHEMBL17894400 0.80 MAOA (0.46) F10MAPTAURKARPS6KB1CYP1A2
SCHEMBL2717977 0.80 PRSS1 (0.55) MAPTCYP1A2CYP2D6LMNAHPGD
SCHEMBL17701355 0.80 PKM (0.61) TAAR1MAPTAURKARPS6KB1CYP1A2
SCHEMBL14470339 0.80 ALDH1A1 (0.46) F10F7MAPTCYP1A2CYP2D6
SCHEMBL29469775 0.80 PKM (0.61) TAAR1MAPTAURKARPS6KB1CYP1A2
SCHEMBL16216175 0.79 CYP1A2 (0.49) F10F7NPC1TAAR1ALOX5
SCHEMBL16218944 0.79 MTOR (0.47) F10F7NPC1TAAR1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948188-B1 NEURONAL IMAGING AND TREATMENT TYLERTON INT HOLDINGS INC (VG) 2021-09-08 EP disclosed
US-20150366523-A1 NEURONAL IMAGING AND TREATMENT TYLERTON INTERNATIONAL HOLDINGS INC. (VG) 2015-12-24 US disclosed
EP-2948188-A1 NEURONAL IMAGING AND TREATMENT Tylerton International Holdings Inc. (VG) 2015-12-02 EP disclosed
WO-2014115152-A1 NEURONAL IMAGING AND TREATMENT TYLERTON INTERNATIONAL HOLDINGS INC. (VG) 2014-07-31 WO disclosed
EP-2474523-A2 Ligands for imaging cardiac innervation Lantheus Medical Imaging, Inc. (US) 2012-07-11 EP disclosed
EP-2474524-A2 Ligands for imaging cardiac innervation Lantheus Medical Imaging, Inc. (US) 2012-07-11 EP disclosed
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
WO-2008083056-A2 LIGANDS FOR IMAGING CARDIAC INNERVATION LANTHEUS MEDICAL IMAGING, INC. (US) 2008-07-10 WO 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

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 F10 1412/4885F7 791/4885NPC1 4841/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 F10 1914/4885F7 95/4885NPC1 4782/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 F10 1274/4885F7 167/4885NPC1 4747/4885
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 F10 2986/4885F7 1607/4885NPC1 4179/4885

“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.