SCHEMBL4358635

SCHEMBL4358635

Cc1cccc(C)c1NC(=O)Nc1cccc(Cl)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.52
CXCL8 P10145 1/20 0.51
MAPT P10636 3/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 2/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CXCR2 P25025 5/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 2/20 0.46
PYGL P06737 2/20 0.46
DDX3X O00571 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
CX3CR1 P49238 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4348857 0.89 DDX3X (0.59) TRPV1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL4348752 0.84 TRPV1 (0.47) TRPV1MAPTLMNAALOX15HTT
SCHEMBL4348061 0.81 RAB9A (0.51) MAPTALDH1A1SMN1; SMN2LMNAALOX15
SCHEMBL4349966 0.80 TRPV1 (0.48) TRPV1CXCL8MAPTALDH1A1SMN1; SMN2
SCHEMBL30051979 0.79 MAPT (0.67) MAPTALDH1A1SMN1; SMN2LMNAALOX15
SCHEMBL4353920 0.78 DHODH (0.60) TRPV1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL4354878 0.78 MEN1 (0.73) TRPV1MAPTSMN1; SMN2LMNAHTT
SCHEMBL4347130 0.77 RAB9A (0.60) ALDH1A1LMNAHTTRAB9APOLB
SCHEMBL9814082 0.76 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2LMNAALOX15
SCHEMBL6822942 0.76 CXCR2 (0.73) MAPTLMNAHTTRAB9ACXCR2

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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US claimed
CN-100546977-C Suppress the new compound and the application thereof of rotamase JERINI AG (DE) 2009-10-07 CN 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
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

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 TRPV1 2328/4885CXCL8 4238/4885MAPT 4439/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 TRPV1 2320/4885CXCL8 4379/4885MAPT 4184/4885

“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.