SCHEMBL1999435

SCHEMBL1999435

O=C1c2ccccc2C(=O)N1CCCCOc1ccccc1

nearest known ligand 0.90

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.90
MAPT P10636 2/20 0.90
SMN1; SMN2 Q16637 1/20 0.90
HPGD P15428 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
NPC1 O15118 1/20 0.62
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
KMT2A Q03164 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
ALDH1A1 P00352 1/20 0.56
KCNA3 P22001 1/20 0.55

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
SCHEMBL8554591 0.98 RAB9A (0.87) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL11996369 0.98 RAB9A (0.87) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL7299163 0.95 RAB9A (1.00) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL8483472 0.91 RAB9A (0.74) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL1578469 0.89 RAB9A (0.83) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL10682756 0.89 RAB9A (0.72) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL10683303 0.89 RAB9A (0.72) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL10680795 0.89 RAB9A (0.72) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL10675006 0.89 RAB9A (0.72) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL10683824 0.89 RAB9A (0.72) RAB9AMAPTSMN1; SMN2HPGDNPSR1

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-3268435-B1 POLYMERIC BODIPY DYES AND METHODS FOR USING THE SAME BECTON DICKINSON CO (US) 2022-07-13 EP disclosed
US-10240004-B2 Polymeric BODIPY dyes and methods for using the same BECTON, DICKINSON AND COMPANY (US) 2019-03-26 US disclosed
US-20170335067-A1 POLYMERIC BODIPY DYES AND METHODS FOR USING THE SAME BECTON, DICKINSON AND COMPANY 2017-11-23 US disclosed
US-9719998-B2 Ultraviolet absorbing polymeric dyes and methods for using the same BECTON DICKINSON AND COMPANY (US) 2017-08-01 US disclosed
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 US disclosed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed
EP-0491374-B1 Bisphosphonic acid derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-01-31 EP disclosed
US-5280022-A Containing an amine group TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-01-18 US disclosed
EP-0491374-A1 Bisphosphonic acid derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-24 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 (2 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-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 RAB9A 3641/4885MAPT 2119/4885SMN1; SMN2 4033/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 RAB9A 3641/4885MAPT 2119/4885SMN1; SMN2 4033/4885

“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.