SCHEMBL5152908

SCHEMBL5152908

Nc1ccccc1-c1conn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
IDO1 P14902 4/20 0.43
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 3/20 0.41
GAA P10253 3/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
ATAD2 Q6PL18 1/20 0.39
ATR Q13535 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AR P10275 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
S1PR1 P21453 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL50124 0.85 ALDH1A1 (0.38) ALDH1A1L3MBTL1IDO1KDM4ENPC1
SCHEMBL2679546 0.76 RAB9A (0.48) ALDH1A1L3MBTL1IDO1KDM4ENPC1
SCHEMBL6135309 0.76 GPR55 (0.39) ALDH1A1NPC1HSD17B10SMN1; SMN2RAB9A
SCHEMBL7736978 0.76
SCHEMBL6348373 0.76 CASP3 (0.35)
SCHEMBL4954846 0.76 IDO1 (0.43) ALDH1A1IDO1KDM4ENPC1GAA
SCHEMBL2200428 0.74 GPR55 (0.38) ALDH1A1NPC1HSD17B10SMN1; SMN2RAB9A
SCHEMBL27651172 0.74 IDO1 (0.42) ALDH1A1IDO1KDM4ENPC1GAA
SCHEMBL58582 0.74 RAB9A (0.36) ALDH1A1NPC1HSD17B10SMN1; SMN2RAB9A
SCHEMBL28691784 0.73 HPGD (0.38) ALDH1A1IDO1KDM4ENPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071609-A Quantitative flagellum fluorescent marker and standard items 马凯特大学 2018-12-21 CN disclosed
CN-108350466-A Methods and compositions for determining pH 芝加哥大学 2018-07-31 CN disclosed
EP-2707364-B1 PROCESS FOR THE MANUFACTURE OF DABIGATRAN ETEXILATE AND INTERMEDIATES THEREOF EGIS GYÓGYSZERGYÁR ZRT (HU) 2016-08-24 EP disclosed
US-9260421-B2 Pharmaceutical intermediates and process for the preparation thereof EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2016-02-16 US disclosed
CN-104394853-A Use of porous nanostructures in delivery NVIGEN INC 2015-03-04 CN disclosed
CN-104395471-A Use of IDED Nanostructures in Nucleic Acid Technology NVIGEN INC 2015-03-04 CN disclosed
CN-104364188-A Low density, highly porous nano structure NVIGEN INC 2015-02-18 CN disclosed
US-20140155614-A1 PHARMACEUTICAL INTERMEDIATES AND PROCESS FOR THE PREPARATION THEREOF EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2014-06-05 US disclosed
EP-2707364-A1 PROCESS FOR THE MANUFACTURE OF DABIGATRAN ETEXILATE AND INTERMEDIATES THEREOF EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársaság (HU) 2014-03-19 EP disclosed
CN-103619832-A Preparation method of dabigatran etexilate and intermediate thereof EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG 2014-03-05 CN disclosed
US-20030165561-A1 Substituted diphenyl heterocycles useful for treating HCV infection MIDCAP FINANCIAL TRUST 2003-09-04 US disclosed
WO-2003040112-A1 SUBSTITUTED DIPHENYL HETEROCYCLES USEFUL FOR TREATING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2003-05-15 WO disclosed
CN-1317003-A Pyrimidine derivatives having antitumor activity SHIONOGI & CO (JP) 2001-10-10 CN disclosed
EP-0384310-B1 Process for the preparation of phenyl oxadiazolyl anilines BASF AG (DE) 1994-07-06 EP disclosed
US-5104991-A PREPARATION OF PHENYLOXADIAZOLYLANILINES BASF AKTIENGESELLSCHAFT (DE) 1992-04-14 US disclosed
EP-0384310-A2 Process for the preparation of phenyl oxadiazolyl anilines BASF Aktiengesellschaft (DE) 1990-08-29 EP disclosed
US-4003909-A [(1,2,4-Oxadiazol-3-yl)phenyl]carbamic or thiocarbamic acid esters E. R. SQUIBB & SONS, INC. (US) 1977-01-18 US disclosed
US-3976657-A 3-Hetero-5-substituted aminophenyloxadiazoles E. R. SQUIBB & SONS, INC. (US) 1976-08-24 US disclosed
US-3976657-A 3-Hetero-5-substituted aminophenyloxadiazoles E. R. SQUIBB & SONS, INC. (US) 1976-08-24 US disclosed
US-3923777-A Azo dye from an ortho-oxydiazolylaniline diazo component BASF AG 1975-12-02 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-20140155614-A1 PHARMACEUTICAL INTERMEDIATES AND PROCESS FOR THE PREPARATION THEREOF TFPI, VKORC1, VKORC1L1 ALDH1A1 208/4885L3MBTL1 4852/4885IDO1 1855/4885
US-20030165561-A1 Substituted diphenyl heterocycles useful for treating HCV infection HAVCR2, HCCS, PCNA ALDH1A1 984/4885L3MBTL1 3167/4885IDO1 415/4885

“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.