SCHEMBL4357641

SCHEMBL4357641

Oc1c(F)cccc1NCc1ccccc1Sc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
GAA P10253 3/20 0.42
APOBEC3A P31941 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
PRMT3 O60678 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
PRMT1 Q99873 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
L3MBTL1 Q9Y468 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39

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
SCHEMBL4341642 0.89 CA12 (0.44) GAAPRMT3CARM1PRMT6PRMT8
SCHEMBL4359708 0.86 PRMT3 (0.40) LMNAGAAAPOBEC3ACTDSP1APOBEC3G
SCHEMBL4347430 0.85 CA12 (0.41) GAAAPOBEC3GPRMT3CARM1PRMT6
SCHEMBL4355501 0.85 SLC6A4 (0.46) LMNAGAAAPOBEC3ACTDSP1APOBEC3G
SCHEMBL4343540 0.84 L3MBTL1 (0.46) LMNAGAAAPOBEC3ACTDSP1APOBEC3G
SCHEMBL4354729 0.84 PRMT3 (0.40) LMNAGAAAPOBEC3ACTDSP1APOBEC3G
SCHEMBL4348421 0.84 SMN1; SMN2 (0.43) LMNAGAAAPOBEC3ACTDSP1APOBEC3G
SCHEMBL4354085 0.84 SLC6A4 (0.51) LMNAGAAAPOBEC3ACTDSP1APOBEC3G
SCHEMBL4358452 0.82 ITGB2 (0.47) LMNAGAAPRMT3CARM1PRMT6
SCHEMBL4347048 0.82 CYP2C9 (0.47) LMNAGAAAPOBEC3ACTDSP1APOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP claimed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US claimed
CN-1701061-A Novel compounds for inhibiting rotamase enzymes and uses thereof JERINI AG (DE) 2005-11-23 CN claimed
EP-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 EP claimed
WO-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO claimed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 WO claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP 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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF NR1I3, NR1D1, NR1D2 LMNA 3160/4885GAA 4010/4885APOBEC3A 4756/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 LMNA 3661/4885GAA 3384/4885APOBEC3A 4702/4885

“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.