SCHEMBL3333332

SCHEMBL3333332

C=CN(Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD11B1 P28845 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL6551303 0.86 HSD11B1 (0.51) TDP1TSHRKMT2AMEN1KDM4E
SCHEMBL13198360 0.86 GSTO1 (0.47) TDP1TSHRNPC1RAB9ACA12
SCHEMBL3120142 0.86 TSPO (0.47) TDP1TSHRNPC1RAB9ACA12
SCHEMBL10773942 0.84 KMT2A (0.47) TDP1NPC1RAB9AKMT2AMEN1
SCHEMBL3119603 0.83 NPC1 (0.49) TDP1TSHRNPC1RAB9ACA12
SCHEMBL28821061 0.83 RAB9A (0.57) TDP1TSHRNPC1RAB9ACA12
SCHEMBL7405546 0.80 NPC1 (0.48) TDP1TSHRNPC1RAB9ACA12
SCHEMBL28394274 0.79 AGER (0.55) TDP1NPC1RAB9AKMT2AMEN1
Hydrochloric Acid SCHEMBL11685888 0.78 NPC1 (0.47) TDP1TSHRNPC1RAB9ACA12
SCHEMBL2963704 0.78 GAA (0.49) TDP1TSHRCA12CA9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4327568-A None JP disclosed
US-20130243720-A1 Iron(II)-Containing A Treatments for Hyperphosphatemia HUVAL CHAD (US) 2013-09-19 US disclosed
US-20100135950-A1 Iron(II)-Containing Treatments for Hyperphosphatemia GENZYME CORPORATION (US) 2010-06-03 US disclosed
EP-2043627-A2 IRON(II)-CONTAINING TREATMENTS FOR HYPERPHOSPHATEMIA Genzyme Corporation (US) 2009-04-08 EP disclosed
WO-2008005217-A2 IRON(II)-CONTAINING TREATMENTS FOR HYPERPHOSPHATEMIA GENZYME CORPORATION (US) 2008-01-10 WO disclosed
EP-0743299-B1 Process for the preparation of 2-fluorocyclopropylamine sulfonic acid salts BAYER AG (DE) 1999-09-15 EP disclosed
US-5646329-A Cyclopropylamine derivatives BAYER AKTIENGESELLSCHAFT (DE) 1997-07-08 US disclosed
EP-0711750-A1 Process for preparing 2-fluoro-cyclopropylamine as well as novel cyclopropylamine derivatives BAYER AG (DE) 1996-05-15 EP disclosed
JP-H04327568-A FLUOROCYCLOPROPYL CARBAMATE DERIVATIVE AND PRODUCTION THEREOF DAI ICHI SEIYAKU CO LTD 1992-11-17 JP disclosed
EP-0132679-A2 Copolymers containing primary amino groups, their manufacture and their use as technological auxiliary substances BAYER AG (DE) 1985-02-13 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-20100135950-A1 Iron(II)-Containing Treatments for Hyperphosphatemia FECH, SLC20A2, SDHB TDP1 3360/4885TSHR 1574/4885NPC1 1553/4885
US-20130243720-A1 Iron(II)-Containing A Treatments for Hyperphosphatemia SLC20A2, PFKFB2, SLC46A1 TDP1 3726/4885TSHR 1766/4885NPC1 1713/4885

“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.