SCHEMBL215272

SCHEMBL215272

Nc1ccccc1NCCCCNc1ccccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.50
HDAC1 Q13547 4/20 0.50
HDAC2 Q92769 4/20 0.50
NCOR2 Q9Y618 3/20 0.50
PRSS1 P07477 8/20 0.47
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 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
SCHEMBL8720375 0.98 HDAC3 (0.53) HDAC3HDAC1HDAC2NCOR2PRSS1
SCHEMBL6247309 0.98 HDAC3 (0.53) HDAC3HDAC1HDAC2NCOR2PRSS1
SCHEMBL867417 0.95 PRSS1 (0.47) HDAC3HDAC1HDAC2NCOR2PRSS1
SCHEMBL6201094 0.90 MAPT (0.52) HDAC3HDAC1HDAC2NCOR2PRSS1
SCHEMBL3870595 0.90 KDM4E (0.59) HDAC3HDAC1HDAC2NCOR2PRSS1
SCHEMBL29922455 0.90 TLR8 (0.49) HDAC3HDAC1HDAC2NCOR2PRSS1
SCHEMBL1170549 0.90 TLR8 (0.49) HDAC3HDAC1HDAC2NCOR2PRSS1
SCHEMBL9320885 0.89 KAT2B (0.54) HDAC3HDAC1HDAC2NCOR2MAPT
SCHEMBL8082845 0.88 L3MBTL1 (0.48) HDAC3HDAC1HDAC2NCOR2PRSS1
SCHEMBL9011310 0.88 L3MBTL1 (0.48) HDAC3HDAC1HDAC2NCOR2PRSS1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020202091-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-08 WO disclosed
WO-2020202091-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-08 WO disclosed
EP-2916916-B1 METHODS FOR ALTERING THE COLOR AND APPEARANCE OF HAIR L'ORÉAL (FR) 2018-01-10 EP disclosed
US-9578944-B2 Compositions and methods for altering the appearance of hair L'OREAL (FR) 2017-02-28 US disclosed
US-9565915-B2 Compositions and methods for altering the appearance of hair L'OREAL (FR) 2017-02-14 US disclosed
US-9566221-B2 Methods for altering the color and appearance of hair L'OREAL (FR) 2017-02-14 US disclosed
US-9474700-B2 Methods for altering the color and appearance of hair L'OREAL (FR) 2016-10-25 US disclosed
US-20150290093-A1 METHODS FOR ALTERING THE COLOR AND APPEARANCE OF HAIR L'OREAL (FR) 2015-10-15 US disclosed
US-20150265513-A1 METHODS FOR ALTERING THE COLOR AND APPEARANCE OF HAIR L'OREAL (FR) 2015-09-24 US disclosed
EP-2916916-A1 METHODS FOR ALTERING THE COLOR AND APPEARANCE OF HAIR L'Oréal (FR) 2015-09-16 EP disclosed
WO-2013071194-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2013-05-16 WO disclosed
US-8343238-B1 Process for altering the appearance of hair using a composition containing dyes and non-hydroxide bases L'OREAL SA. 2013-01-01 US disclosed
US-8088176-B2 Methods and kits for permanently coloring hair using a developer composition containing an oxidizer composition and a shampoo L'OREAL (FR) 2012-01-03 US disclosed
US-20110209720-A1 METHODS AND KITS FOR PERMANENTLY COLORING HAIR USING A DEVELOPER COMPOSITION CONTAINING AN OXIDIZER COMPOSITION AND A SHAMPOO L'OREAL (FR) 2011-09-01 US disclosed
EP-1091942-B1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH AS (DK) 2005-03-30 EP disclosed
US-6569880-B2 Guanidine derivatives NEUROSEARCH A/S (DK) 2003-05-27 US disclosed
US-20020137784-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-09-26 US disclosed
US-6380180-B1 BENZIMIDAZOLE COMPOUNDS FOR TREATMENT OF ASTHMA, VASOSPASM, MEMORY LOSS, MIGRAINE AND OTHERS DISEASES ASSOCIATED WITH POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 2002-04-30 US disclosed
US-20020049246-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-04-25 US disclosed
US-6194447-B1 ASTHMA, ANTICONVULSANTS, COGNITION ACTIVATORS, BRAIN DISORDERS, PSYCHOLOGICAL DISORDERS, CARDIOVASCULAR DISORDERS,GASTROINTESTINAL DISORDERS NEUROSEARCH A/S (DK) 2001-02-27 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 (5 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-20110209720-A1 METHODS AND KITS FOR PERMANENTLY COLORING HAIR USING A DEVELOPER COMPOSITION CONTAINING AN OXIDIZER COMPOSITION AND A SHAMPOO PPOX, SCO2, SDHB HDAC3 1214/4885HDAC1 863/4885HDAC2 1543/4885
US-20150290093-A1 METHODS FOR ALTERING THE COLOR AND APPEARANCE OF HAIR TYR, COXFA4L2, MT-CO3 HDAC3 779/4885HDAC1 318/4885HDAC2 660/4885
US-20150265513-A1 METHODS FOR ALTERING THE COLOR AND APPEARANCE OF HAIR COXFA4L2, TYR, COX5A HDAC3 746/4885HDAC1 388/4885HDAC2 660/4885
US-20020137784-A1 Potassium channel blocking agents KCNH2, KCNH3, KCND2 HDAC3 573/4885HDAC1 843/4885HDAC2 876/4885
US-20020049246-A1 Potassium channel blocking agents KCNH2, KCNH3, KCND2 HDAC3 573/4885HDAC1 843/4885HDAC2 876/4885

“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.