SCHEMBL295304

SCHEMBL295304

NCCCCCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA3 P07451 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
BLM P54132 1/20 0.50
NFKB1 P19838 1/20 0.44
FDPS P14324 2/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL11247209 1.00 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL20560943 1.00 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL30818589 1.00 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL29263728 1.00 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL22499555 1.00 DNM1 (0.50) DNM1CA12CA1CA2CA3
Hydrochloric Acid SCHEMBL31191416 0.97 DNM1 (0.47) DNM1CA12CA1CA2CA3
SCHEMBL293454 0.97
SCHEMBL23259 0.87
Iodide SCHEMBL20969954 0.84
Hydrochloric Acid SCHEMBL3751683 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107209146-B Electrochemical gas sensor and electrolyte for electrochemical gas sensor 德尔格安全股份两合公司 2024-03-12 CN disclosed
US-20240067603-A1 CUBANYL BIGUANIDE COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2024-02-29 US disclosed
US-20240067603-A1 CUBANYL BIGUANIDE COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2024-02-29 US disclosed
US-20240067603-A1 CUBANYL BIGUANIDE COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2024-02-29 US disclosed
WO-2022133111-A1 CUBANYL BIGUANIDE COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2022-06-23 WO disclosed
US-20220184008-A1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION ALMA MATER STUDIORUM - UNIVERSITA' DI BOLOGNA (IT) 2022-06-16 US disclosed
CN-114174259-A Modulators of intracellular chloride concentration 意大利学院科技基金会 2022-03-11 CN disclosed
EP-3947345-A1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION Fondazione Istituto Italiano di Tecnologia (IT) 2022-02-09 EP disclosed
WO-2020202072-A1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2020-10-08 WO disclosed
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
EP-2287161-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
EP-2284169-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-03-14 EP disclosed
US-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. 2012-02-02 US disclosed
EP-1919907-B9 HETEROCYCLIC COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-01-18 EP disclosed
US-8071600-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 US disclosed
EP-2287162-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed
EP-2287161-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-23 EP disclosed
EP-1919907-B1 HETEROCYCLIC COMPOUND OTSUKA PHARMA CO LTD (JP) 2011-02-23 EP disclosed
EP-2284169-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-16 EP disclosed
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-22 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 (5 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-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 DNM1 2378/4885CA12 3345/4885CA1 2977/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 DNM1 2378/4885CA12 3345/4885CA1 2977/4885
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 DNM1 2378/4885CA12 3345/4885CA1 2977/4885
US-20240067603-A1 CUBANYL BIGUANIDE COMPOUNDS GLMN, GCGR, HBG2 DNM1 4620/4885CA12 2624/4885CA1 4755/4885
US-20220184008-A1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION SLC6A1, SLC6A13, SLC6A11 DNM1 1833/4885CA12 2754/4885CA1 667/4885

“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.