SCHEMBL4807186

SCHEMBL4807186

NCCCOc1cccnc1F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.47
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CHRNB2 P17787 2/20 0.42
CHRNA6 Q15825 1/20 0.42
HRH1 P35367 2/20 0.41
CHRNA4 P43681 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL23028310 0.93 MEN1 (0.45) HTR1BMEN1CYP1A2CYP2D6CYP2C9
SCHEMBL3433200 0.91 KDM4E (0.55) HTR1BMEN1CYP1A2CYP2D6CYP2C9
SCHEMBL19352680 0.84 KDM4E (0.44) CYP1A2CYP2C9CYP2C19KDM4ECHRNB2
SCHEMBL20247449 0.81 CHRNB2 (0.42) MEN1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11084194 0.79 LTA4H (0.56) HTR1BMEN1CYP1A2CYP2D6CYP2C9
SCHEMBL12893078 0.79 CHRNB2 (0.47) MEN1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL19952884 0.79 CHRNB2 (0.40) MEN1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12880467 0.78 HTR1B (0.43) HTR1BKMT2AKDM4ECHRNB2CHRNA6
SCHEMBL1207888 0.78 HTR1B (0.43) HTR1BKMT2AKDM4ECHRNB2CHRNA6
SCHEMBL2842190 0.78 S1PR4 (0.54) HTR1BMEN1CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009033876-A1 APTAMERS LABELED WITH 18F BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 WO disclosed
EP-2036981-A1 Aptamers labeled with 18F Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-18 EP disclosed
US-7456202-B2 Marked maleimide compounds, method for preparing same and use thereof for marking macromolecules COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-11-25 US disclosed
US-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 US disclosed
US-20050249662-A1 Marked maleimide compounds, method for preparing same and use thereof for marking macromolecules COMMISSARIAT A L'ENERGIE (FR) 2005-11-10 US disclosed
EP-1517903-A2 MARKED MALEIMIDE COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR MARKING MACROMOLECULES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2005-03-30 EP disclosed
WO-2004002984-A2 MARKED MALEIMIDE COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR MARKING MACROMOLECULES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2004-01-08 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 (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-20050249662-A1 Marked maleimide compounds, method for preparing same and use thereof for marking macromolecules CRBN, NR2E3, NR2C2 HTR1B 770/4885MEN1 94/4885CYP1A2 1585/4885

“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.