SCHEMBL4354729

SCHEMBL4354729

Oc1c(F)cc(Br)cc1NCc1ccccc1Sc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
PRMT1 Q99873 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
APOBEC3A P31941 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
SLC6A4 P31645 3/20 0.37
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL4351736 0.87 MEN1 (0.40) LMNAGAAAPOBEC3ACTDSP1APOBEC3G
SCHEMBL4351811 0.86 SLC6A4 (0.44) LMNAGAAAPOBEC3ACTDSP1APOBEC3G
SCHEMBL4349880 0.86 LMNA (0.41) LMNAGAAAPOBEC3ACTDSP1APOBEC3G
SCHEMBL4343223 0.84 SLC6A4 (0.48) LMNAGAAAPOBEC3ACTDSP1APOBEC3G
SCHEMBL4357641 0.84 LMNA (0.42) PRMT3CARM1PRMT6PRMT8PRMT1
SCHEMBL4342039 0.82 SMN1; SMN2 (0.41) LMNAGAAAPOBEC3ACTDSP1APOBEC3G
SCHEMBL4347048 0.82 CYP2C9 (0.47) PRMT3CARM1PRMT6PRMT8PRMT1
SCHEMBL4351077 0.81 SLC6A4 (0.47) LMNAGAASLC6A4CYP2C9CYP2C19
SCHEMBL4359708 0.81 PRMT3 (0.40) PRMT3CARM1PRMT6PRMT8PRMT1
SCHEMBL4347295 0.79 MEN1 (0.53) LMNAGAASLC6A4MEN1KMT2A

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 PRMT3 227/4885CARM1 549/4885PRMT6 591/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 PRMT3 183/4885CARM1 254/4885PRMT6 408/4885

“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.