SCHEMBL4401518

SCHEMBL4401518

NCCCCN1CCCC1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ADRA1B P35368 6/20 0.46
ADRA1A P35348 2/20 0.46
PIK3CD O00329 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
CYP2C9 P11712 1/20 0.42
CHRM3 P20309 1/20 0.42
CYP2C19 P33261 1/20 0.42
MALT1 Q9UDY8 1/20 0.41

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
SCHEMBL7933852 0.98 TSHR (0.47) TSHRADRA1BADRA1APIK3CDKMT2A
SCHEMBL7933198 0.98 TSHR (0.47) TSHRADRA1BADRA1APIK3CDKMT2A
SCHEMBL56994 0.94 TSHR (0.50) TSHRADRA1BADRA1APIK3CDKMT2A
Ammonia Solution, Strong SCHEMBL1579461 0.92 TSHR (0.48) TSHRADRA1BADRA1APIK3CDKMT2A
SCHEMBL11670561 0.91 L3MBTL1 (0.44) TSHRADRA1BADRA1APIK3CDKMT2A
SCHEMBL1447146 0.88 TSHR (0.44) TSHRADRA1BADRA1APIK3CDKMT2A
SCHEMBL989008 0.87 PIK3CD (0.52) TSHRADRA1BADRA1APIK3CDKMT2A
SCHEMBL19514132 0.87 PIK3CD (0.52) TSHRADRA1BADRA1APIK3CDKMT2A
SCHEMBL31632694 0.87 PIK3CD (0.52) TSHRADRA1BADRA1APIK3CDKMT2A
SCHEMBL5697292 0.87 PIK3CD (0.52) TSHRADRA1BADRA1APIK3CDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0124274-B1 ELECTRON BEAM SENSITIVE MIXTURE RESIST GAF CORPORATION (US) 1988-06-22 EP claimed
EP-0088977-B1 ELECTRON BEAM SENSITIVE RESIST GAF CORPORATION (US) 1988-06-01 EP claimed
EP-0126652-B1 ELECTRON BEAM SENSITIVE MIXTURE RESIST GAF CORPORATION (US) 1987-04-22 EP claimed
EP-0126652-A1 Electron beam sensitive mixture resist GAF CORPORATION (US) 1984-11-28 EP claimed
EP-0124274-A2 Electron beam sensitive mixture resist GAF CORPORATION (US) 1984-11-07 EP claimed
US-4448875-A HALF-ESTER OR -AMIDE OF ALKYL VINYL ETHER-MALEIC ANHYDRIDE COPOLYMER GAF CORPORATION (US) 1984-05-15 US claimed
EP-0088977-A2 Electron beam sensitive resist GAF CORPORATION (US) 1983-09-21 EP claimed
US-4375398-A CROSSLINKING, VINYL ETHER GAF CORPORATION (US) 1983-03-01 US claimed
US-4022624-A N-(AMINOALKYL)-LACTAM FUJI PHOTO FILM CO., LTD. (JA) 1977-05-10 US claimed
US-10729701-B2 Compounds that are analogs of squalamine, used as antibacterial agents VIRBAC (FR) 2020-08-04 US disclosed
EP-3268008-B1 COMPOUNDS THAT ARE ANALOGS OF SQUALAMINE, USED AS ANTIBACTERIAL AGENTS VIRBAC (FR) 2020-02-12 EP disclosed
US-20180042942-A1 Compounds that are Analogs of Squalamine, Used as Antibacterial Agents VIRBAC (FR) 2018-02-15 US disclosed
US-20180042942-A1 Compounds that are Analogs of Squalamine, Used as Antibacterial Agents VIRBAC (FR) 2018-02-15 US disclosed
WO-2016142922-A1 COMPOUNDS THAT ARE ANALOGS OF SQUALAMINE, USED AS ANTIBACTERIAL AGENTS VIRBAC (FR) 2016-09-15 WO disclosed
EP-0124274-A2 Electron beam sensitive mixture resist GAF CORPORATION (US) 1984-11-07 EP disclosed
US-4448876-A Electron beam sensitive resist GAF CORPORATION (US) 1984-05-15 US disclosed
US-4448875-A HALF-ESTER OR -AMIDE OF ALKYL VINYL ETHER-MALEIC ANHYDRIDE COPOLYMER GAF CORPORATION (US) 1984-05-15 US disclosed
EP-0088977-A2 Electron beam sensitive resist GAF CORPORATION (US) 1983-09-21 EP disclosed
US-4375398-A CROSSLINKING, VINYL ETHER GAF CORPORATION (US) 1983-03-01 US disclosed
US-4022624-A N-(AMINOALKYL)-LACTAM FUJI PHOTO FILM CO., LTD. (JA) 1977-05-10 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 (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-20180042942-A1 Compounds that are Analogs of Squalamine, Used as Antibacterial Agents SQLE, MTX1, SPIN1 TSHR 4539/4885ADRA1B 2346/4885ADRA1A 1845/4885
US-10729701-B2 Compounds that are analogs of squalamine, used as antibacterial agents SQLE, MTX1, SPIN1 TSHR 4539/4885ADRA1B 2346/4885ADRA1A 1845/4885

“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.