SCHEMBL4306503

SCHEMBL4306503

O=C(Nc1cccc2c1C(=O)N(CC(O)CN1CCN(c3ccc(F)cc3)CC1)C2=O)c1ccc(Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.42
HTR1A P08908 5/20 0.42
DRD2 P14416 5/20 0.42
HTR7 P34969 5/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ABCB1 P08183 6/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
SLC6A4 P31645 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 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
SCHEMBL4306493 0.94 F10 (0.43) F10HTR1ADRD2HTR7MAPT
SCHEMBL4302294 0.93 MAPT (0.42) F10HTR1ADRD2HTR7MAPT
SCHEMBL4302265 0.91 F10 (0.44) F10HTR1ADRD2HTR7MAPT
SCHEMBL4309841 0.90 RPS6KA2 (0.44) F10HTR1ADRD2MAPTHTR2A
SCHEMBL4313299 0.89 HTR1A (0.43) F10HTR1ADRD2HTR7ADRA1D
SCHEMBL4306062 0.88 HTR2A (0.42) HTR1ADRD2HTR7HTR2AHTR2C
SCHEMBL4307569 0.88 MAPT (0.43) F10DRD2HTR7MAPTHTR2A
SCHEMBL4307192 0.87 MAPT (0.43) HTR1ADRD2HTR7MAPTLMNA
SCHEMBL4309292 0.86 F10 (0.39) F10HTR1ADRD2HTR7HTR2A
SCHEMBL4310904 0.86 L3MBTL1 (0.45) MAPTLMNAKDM4EMAPK1ADRA1D

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
US-7482472-B2 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2009-01-27 US disclosed
US-20080039446-A1 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2008-02-14 US disclosed
US-7189738-B2 Substituted isoindoles and their use thereof BAYER HEALTHCARE AG (DE) 2007-03-13 US disclosed
EP-1414817-B1 substituted isoindoles and the use thereof BAYER HEALTHCARE AG (DE) 2005-04-06 EP disclosed
US-20040215019-A1 Substituted isoindoles and the e use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-10-28 US disclosed
EP-1414817-A1 SUBSTITUTED ISOINDOLES AND E USE THEREOF Bayer HealthCare AG (DE) 2004-05-06 EP disclosed
WO-2003011858-A1 SUBSTITUTED ISOINDOLES AND E USE THEREOF BAYER HEALTHCARE AG (DE) 2003-02-13 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 (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-20080039446-A1 Substituted isoindoles and their use F2, F12, TFPI2 F10 19/4885HTR1A 527/4885DRD2 1154/4885
US-20040215019-A1 Substituted isoindoles and the e use thereof F2, F12, F5 F10 14/4885HTR1A 580/4885DRD2 1163/4885

“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.