SCHEMBL21768167

SCHEMBL21768167

O=C(c1ccc(O)cc1)N1Cc2ccc(Cl)cc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.56
MGLL Q99685 3/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
POLB P06746 1/20 0.47
HSP90B1 P14625 3/20 0.47
TRAP1 Q12931 3/20 0.47
ENPP2 Q13822 1/20 0.46
ATXN2 Q99700 1/20 0.46
HSP90AA1 P07900 2/20 0.45
HSP90AB1 P08238 2/20 0.45
NAMPT P43490 1/20 0.45
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
MAPK1 P28482 1/20 0.44
SPR P35270 1/20 0.44
PHGDH O43175 1/20 0.44

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
SCHEMBL30089453 1.00 MAOB (0.56) MAOBMGLLCA1CA2CA7
SCHEMBL21768173 0.88 MAOB (0.47) MAOBMGLLCA1CA2CA7
SCHEMBL28323304 0.83 MAOB (0.46) MAOBPOLBHSP90B1TRAP1ENPP2
SCHEMBL21768174 0.83 MAOB (0.47) MAOBCA1CA2CA7CA9
SCHEMBL4505014 0.81 ABHD6 (0.48) CA1CA2CA7CA9CA14
SCHEMBL10680869 0.81 CA1 (0.70) MGLLCA1CA2CA7CA9
SCHEMBL1304055 0.80 HSP90B1 (0.63) CA1CA2CA7CA9CA14
SCHEMBL5518906 0.78 CA1 (0.67) CA1CA2CA7CA9CA14
SCHEMBL5512748 0.78 CA1 (0.76) CA1CA2CA7CA9CA14
SCHEMBL5536189 0.76 DPP4 (0.50) MAOBENPP2ATXN2NAMPTESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110352188-B Fluoroallylamine derivatives and use thereof 四川科伦博泰生物医药股份有限公司 2022-11-29 CN disclosed
US-20200087248-A1 Fluoroallylamine Derivative And Use Thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-03-19 US disclosed
US-20200087248-A1 Fluoroallylamine Derivative And Use Thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-03-19 US disclosed
EP-3617186-A1 FLUOROALLYLAMINE DERIVATIVE AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP disclosed
EP-3617186-A1 FLUOROALLYLAMINE DERIVATIVE AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 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 (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-20200087248-A1 Fluoroallylamine Derivative And Use Thereof VAPB, VAPA, SLC28A1 MAOB 60/4885MGLL 2740/4885CA1 3432/4885

“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.