SCHEMBL513259

SCHEMBL513259

[CH2]OCc1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 3/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GFER P55789 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.48
MAOB P27338 9/20 0.47
APP P05067 1/20 0.47
MAOA P21397 3/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA3 P07451 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
CA6 P23280 1/20 0.39

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
SCHEMBL3509980 0.79 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1GFER
SCHEMBL234606 0.78 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHRTDP1GFER
SCHEMBL12838403 0.76 IDO1 (0.64) CYP3A4
SCHEMBL9068656 0.76 IDO1 (0.56) ALDH1A1CYP3A4TDP1APPMAPT
SCHEMBL4301097 0.74 TSHR (0.50) ALDH1A1CYP3A4TSHRTDP1GFER
SCHEMBL1146232 0.74 IDO1 (0.58) MAOBAPPMAOAMAPTL3MBTL1
SCHEMBL8579307 0.74 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1GFER
SCHEMBL4800547 0.74 IDO1 (0.58) MAOBAPPRAB9ASMN1; SMN2KMT2A
SCHEMBL513260 0.74 TDP1 (0.50) ALDH1A1CYP3A4TSHRTDP1GFER
SCHEMBL4302217 0.74 TSHR (0.50) ALDH1A1CYP3A4TSHRTDP1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
EP-2707723-B1 MULTIPLE REACTION MONITORING LC-MS/MS METHOD TO DETECT THERAPEUTIC ANTIBODIES IN ANIMAL SAMPLES USING FRAMEWORK SIGNATURE PEPIDES GENENTECH INC (US) 2016-02-10 EP disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
US-8679767-B2 Multiple reaction monitoring LC-MS/MS method to detect therapeutic antibodies in animal samples using framework signature peptides GENENTECH, INC. (US) 2014-03-25 US disclosed
EP-2707723-A1 MULTIPLE REACTION MONITORING LC-MS/MS METHOD TO DETECT THERAPEUTIC ANTIBODIES IN ANIMAL SAMPLES USING FRAMEWORK SIGNATURE PEPTIDES Genentech, Inc. (US) 2014-03-19 EP disclosed
US-20120315645-A1 MULTIPLE REACTION MONITORING LC-MS/MS METHOD TO DETECT THERAPEUTIC ANTIBODIES IN ANIMAL SAMPLES USING FRAMEWORK SIGNATURE PEPTIDES GENENTECH, INC. 2012-12-13 US disclosed
WO-2012155019-A1 MULTIPLE REACTION MONITORING LC-MS/MS METHOD TO DETECT THERAPEUTIC ANTIBODIES IN ANIMAL SAMPLES USING FRAMEWORK SIGNATURE PEPIDES GENENTECH, INC. (US) 2012-11-15 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed
US-4372883-A BONDING TOXIN TO POLYSACCHARIDE KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 1983-02-08 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 (1 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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 ALDH1A1 1574/4885CYP3A4 2169/4885TSHR 307/4885

“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.