SCHEMBL1753283

SCHEMBL1753283

O=C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.85
NPC1 O15118 3/20 0.85
L3MBTL1 Q9Y468 3/20 0.81
MAPT P10636 3/20 0.81
GSK3B P49841 2/20 0.61
PIK3CA P42336 2/20 0.56
MEN1 O00255 1/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
SRD5A2 P31213 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CTBP2 P56545 1/20 0.50

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
SCHEMBL1393818 0.92 L3MBTL1 (0.76) RAB9ANPC1L3MBTL1MAPTGSK3B
SCHEMBL5725840 0.92 RAB9A (1.00) RAB9ANPC1L3MBTL1MAPTGSK3B
SCHEMBL10649146 0.92 RAB9A (1.00) RAB9ANPC1L3MBTL1MAPTGSK3B
SCHEMBL13256390 0.90 RAB9A (0.71) RAB9ANPC1L3MBTL1MAPTGSK3B
SCHEMBL6202445 0.90 RAB9A (0.71) RAB9ANPC1L3MBTL1MAPTGSK3B
SCHEMBL9262872 0.90 RAB9A (0.74) RAB9ANPC1L3MBTL1MAPTGSK3B
SCHEMBL10102425 0.90 RAB9A (0.71) RAB9ANPC1L3MBTL1MAPTGSK3B
SCHEMBL6199337 0.90 RAB9A (1.00) RAB9ANPC1L3MBTL1MAPTGSK3B
SCHEMBL5318356 0.90 RAB9A (0.71) RAB9ANPC1L3MBTL1MAPTGSK3B
SCHEMBL6224695 0.90 RAB9A (1.00) RAB9ANPC1L3MBTL1MAPTGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662156-B2 Guanidine derivative and medical use thereof TORAY INDUSTRIES, INC. (JP) 2020-05-26 US disclosed
US-10662156-B2 Guanidine derivative and medical use thereof TORAY INDUSTRIES, INC. (JP) 2020-05-26 US disclosed
US-20190233376-A1 GUANIDINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2019-08-01 US disclosed
US-20190233376-A1 GUANIDINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2019-08-01 US disclosed
EP-3495348-A1 GUANIDINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Toray Industries, Inc. (JP) 2019-06-12 EP disclosed
EP-3495348-A1 GUANIDINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Toray Industries, Inc. (JP) 2019-06-12 EP disclosed
WO-2018021520-A1 GUANIDINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES 東レ株式会社 2018-02-01 WO disclosed
US-9370522-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2016-06-21 US disclosed
US-9370522-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2016-06-21 US disclosed
US-9370522-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2016-06-21 US disclosed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1572668-A2 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL)PIPERIDINES AND PIPERAZINES FMC CORPORATION (US) 2005-09-14 EP disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004060865-A2 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL)PIPERIDINES AND PIPERAZINES FMC CORPORATION (US) 2004-07-22 WO disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed
US-5478856-A Styrene derivatives and salts thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 1995-12-26 US disclosed
EP-0623603-A1 STYRENE DERIVATIVE AND SALTS THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 1994-11-09 EP disclosed
US-5288727-A Hydrazone compounds, processes for their production, intermediates useful for their production and pesticidal compositions containing them ISHIHARA SANGYO KAISHA LTD. (JP) 1994-02-22 US disclosed
EP-0500111-A2 Hydrazone compounds, processes for their production, intermediates useful for their production and pesticidal compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-08-26 EP disclosed
US-4168315-A ANTICOAGULANTS THE UPJOHN COMPANY (US) 1979-09-18 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 (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-20190233376-A1 GUANIDINE DERIVATIVE AND MEDICAL USE THEREOF MALT1, GUCY1A1, GUCY1B1 RAB9A 945/4885NPC1 1403/4885L3MBTL1 3145/4885
US-10662156-B2 Guanidine derivative and medical use thereof MALT1, GUCY1A1, GUCY1B1 RAB9A 945/4885NPC1 1403/4885L3MBTL1 3145/4885

“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.