SCHEMBL4349988

SCHEMBL4349988

Cc1c(Cl)cc(NC(=O)NC2CCCCC2)c(O)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
TSHR P16473 3/20 0.61
RAB9A P51151 8/20 0.56
NPC1 O15118 7/20 0.56
HTT P42858 2/20 0.54
EPHX2 P34913 2/20 0.54
CXCR2 P25025 2/20 0.52
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
EPHX1 P07099 3/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL6567613 0.99 SMN1; SMN2 (0.59) SMN1; SMN2TSHRRAB9ANPC1HTT
SCHEMBL12846488 0.87 SMN1; SMN2 (0.55) SMN1; SMN2TSHRRAB9ANPC1HTT
SCHEMBL4341453 0.84 POLB (0.60) SMN1; SMN2NPC1HTTKMT2AMEN1
SCHEMBL6524249 0.83 POLB (0.61) SMN1; SMN2RAB9ANPC1HTTKMT2A
SCHEMBL4348759 0.81 EPHX1 (0.50) SMN1; SMN2TSHRRAB9ANPC1HTT
SCHEMBL4354309 0.80 RAB9A (0.66) SMN1; SMN2TSHRRAB9ANPC1HTT
SCHEMBL2751896 0.77 RAB9A (0.70) SMN1; SMN2TSHRRAB9ANPC1HTT
SCHEMBL4115929 0.77 EPHX2 (0.62) HTTEPHX2ALDH1A1LMNA
SCHEMBL9476464 0.76 TSHR (0.46) SMN1; SMN2TSHRRAB9AHTTKMT2A
SCHEMBL6416431 0.75 GPR35 (0.44) TSHRRAB9ANPC1KMT2AMEN1

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 11 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-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP claimed
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US disclosed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP disclosed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP disclosed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US disclosed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF NR1I3, NR1D1, NR1D2 SMN1; SMN2 1791/4885TSHR 1112/4885RAB9A 4228/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 SMN1; SMN2 3250/4885TSHR 1455/4885RAB9A 4588/4885

“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.