SCHEMBL1163598

SCHEMBL1163598

O=C1C=C(Sc2ccccc2)C(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PKM P14618 1/20 0.36
NTSR1 P30989 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 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
SCHEMBL28213821 0.80 GSK3A (0.32) GSK3B
SCHEMBL28425134 0.77 USP2 (0.36) MAOAMAOBUSP2LMNAMAPK1
SCHEMBL18973130 0.77 P4HB (0.38) MAOAMAOBMAPT
SCHEMBL18973128 0.77 MAOA (0.45) MAOAMAOBMAPK1MAPTALDH1A1
Ethane SCHEMBL28166108 0.76
SCHEMBL18972985 0.73 MAOA (0.39) MAOAMAOBMAPK1MAPTALDH1A1
SCHEMBL18972988 0.73 STK10 (0.35)
SCHEMBL28390408 0.73 TSHR (0.46) USP2LMNAMAPTKDM4EALDH1A1
SCHEMBL7919414 0.72 USP2 (0.43) MAOAMAOBUSP2LMNAMAPK1
SCHEMBL28256298 0.71 GSK3A (0.32) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10933142-B2 Reversible covalent linkage of functional molecules UCL BUSINESS LTD (GB) 2021-03-02 US disclosed
US-10933142-B2 Reversible covalent linkage of functional molecules UCL BUSINESS LTD (GB) 2021-03-02 US disclosed
US-20200108150-A1 REVERSIBLE COVALENT LINKAGE OF FUNCTIONAL MOLECULES UCL BUSINESS LTD (GB) 2020-04-09 US disclosed
US-10548982-B2 Reversible covalent linkage of functional molecules UCL BUSINESS LTD (GB) 2020-02-04 US disclosed
US-10548982-B2 Reversible covalent linkage of functional molecules UCL BUSINESS LTD (GB) 2020-02-04 US disclosed
US-20190142950-A1 Reversible Covalent Linkage of Functional Molecules UCL BUSINESS LTD (GB) 2019-05-16 US disclosed
US-20190142950-A1 Reversible Covalent Linkage of Functional Molecules UCL BUSINESS LTD (GB) 2019-05-16 US disclosed
US-10174094-B2 Reversible covalent linkage of functional molecules UCL BUSINESS PLC (GB) 2019-01-08 US disclosed
US-10174094-B2 Reversible covalent linkage of functional molecules UCL BUSINESS PLC (GB) 2019-01-08 US disclosed
US-20160176942-A1 Reversible Covalent Linkage of Functional Molecules UCL BUSINESS PLC (GB) 2016-06-23 US disclosed
US-20120190124-A1 Reversible Covalent Linkage of Functional Molecules UCL BUSINESS LTD (GB) 2012-07-26 US disclosed
US-20120190579-A1 Functionalisation of Solid Substrates UCL BUSINESS PLC (GB) 2012-07-26 US disclosed
US-20120190579-A1 Functionalisation of Solid Substrates UCL BUSINESS PLC (GB) 2012-07-26 US disclosed
US-20120190124-A1 Reversible Covalent Linkage of Functional Molecules UCL BUSINESS LTD (GB) 2012-07-26 US disclosed
EP-2464972-A1 REVERSIBLE COVALENT LINKAGE OF FUNCTIONAL MOLECULES UCL Business PLC (GB) 2012-06-20 EP disclosed
EP-2464974-A1 FUNCTIONALISATION OF SOLID SUBSTRATES UCL Business PLC (GB) 2012-06-20 EP disclosed
WO-2011018611-A1 REVERSIBLE COVALENT LINKAGE OF FUNCTIONAL MOLECULES UCL BUSINESS PLC (GB) 2011-02-17 WO disclosed
WO-2011018611-A1 REVERSIBLE COVALENT LINKAGE OF FUNCTIONAL MOLECULES UCL BUSINESS PLC (GB) 2011-02-17 WO disclosed
WO-2011018613-A1 FUNCTIONALISATION OF SOLID SUBSTRATES UCL BUSINESS PLC (GB) 2011-02-17 WO disclosed
WO-2011018613-A1 FUNCTIONALISATION OF SOLID SUBSTRATES UCL BUSINESS PLC (GB) 2011-02-17 WO 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 (8 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-10174094-B2 Reversible covalent linkage of functional molecules F12, F13A1, F2 MAOA 194/4885MAOB 242/4885USP2 2243/4885
US-20120190124-A1 Reversible Covalent Linkage of Functional Molecules F12, F13A1, F2 MAOA 194/4885MAOB 242/4885USP2 2243/4885
US-20190142950-A1 Reversible Covalent Linkage of Functional Molecules F12, F13A1, F2 MAOA 194/4885MAOB 242/4885USP2 2243/4885
US-20120190579-A1 Functionalisation of Solid Substrates XDH, SPR, DAO MAOA 170/4885MAOB 517/4885USP2 3068/4885
US-20160176942-A1 Reversible Covalent Linkage of Functional Molecules F12, F13A1, F2 MAOA 194/4885MAOB 242/4885USP2 2243/4885
US-10548982-B2 Reversible covalent linkage of functional molecules F12, F13A1, F2 MAOA 194/4885MAOB 242/4885USP2 2243/4885
US-10933142-B2 Reversible covalent linkage of functional molecules F12, F13A1, F2 MAOA 194/4885MAOB 242/4885USP2 2243/4885
US-20200108150-A1 REVERSIBLE COVALENT LINKAGE OF FUNCTIONAL MOLECULES F12, F13A1, F2 MAOA 193/4885MAOB 213/4885USP2 2189/4885

“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.