SCHEMBL4302265

SCHEMBL4302265

O=C(Nc1cccc2c1C(=O)N(CC(O)CN1CCN(c3ccncc3)CC1)C2=O)c1ccc(Cl)s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.44
ACHE P22303 2/20 0.36
STK33 Q9BYT3 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
GRIN2B Q13224 1/20 0.35
P2RX7 Q99572 1/20 0.35
SPHK1 Q9NYA1 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR7 P34969 1/20 0.34
F2 P00734 1/20 0.33

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
SCHEMBL4302294 0.93 MAPT (0.42) F10ACHEALDH1A1HPGDSMN1; SMN2
SCHEMBL4306493 0.92 F10 (0.43) F10ACHEHPGDSMN1; SMN2MAPT
SCHEMBL4306503 0.91 F10 (0.42) F10MAPTHTR1ADRD2HTR7
SCHEMBL4309292 0.90 F10 (0.39) F10ACHESTK33ALDH1A1HTR1A
SCHEMBL14565158 0.89 F10 (0.46) F10ACHESTK33CYP3A4CYP2D6
SCHEMBL4310904 0.89 L3MBTL1 (0.45) ALDH1A1HPGDSMN1; SMN2MAPTHSD17B10
SCHEMBL4309248 0.89 F10 (0.46) F10ACHESTK33CYP3A4CYP2D6
SCHEMBL4309841 0.88 RPS6KA2 (0.44) F10ALDH1A1SMN1; SMN2MAPTHTR1A
SCHEMBL4307569 0.88 MAPT (0.43) F10ACHEALDH1A1HPGDSMN1; SMN2
SCHEMBL13950090 0.87 F10 (0.45) F10ACHEHTR1ADRD2

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
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

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 19/4885ACHE 1206/4885STK33 2146/4885
US-20040215019-A1 Substituted isoindoles and the e use thereof F2, F12, F5 F10 14/4885ACHE 1270/4885STK33 3246/4885

“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.