SCHEMBL330211

SCHEMBL330211

O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(Cl)cnc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.59
TMPRSS4 Q9NRS4 2/20 0.56
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CHRNA7 P36544 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 3/20 0.51
CYP3A4 P08684 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2D6 P10635 2/20 0.48
ALDH1A1 P00352 1/20 0.48
KCNH2 Q12809 1/20 0.48
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
NTRK1 P04629 1/20 0.48

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
SCHEMBL24823427 0.84 P2RX1 (0.66) TMPRSS4SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL330789 0.82 P2RX1 (0.64) TMPRSS4MEN1KMT2A
SCHEMBL330023 0.81 TMPRSS4 (0.83) TRPV1TMPRSS4TSHRSMN1; SMN2CHRNA7
SCHEMBL2700887 0.77 TRPV1 (0.76) TRPV1TMPRSS4TSHRSMN1; SMN2CHRNA7
SCHEMBL13210542 0.76 MEN1 (0.65) TRPV1TSHRSMN1; SMN2CHRNA7MEN1
SCHEMBL5060499 0.76 P2RX1 (0.72) TRPV1TMPRSS4TSHRSMN1; SMN2CHRNA7
SCHEMBL12189395 0.74 TRPV1 (0.76) TRPV1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL23485725 0.74 TRPV1 (1.00) TRPV1TMPRSS4TSHRSMN1; SMN2MEN1
SCHEMBL330058 0.74 TMPRSS4 (0.67) TRPV1TMPRSS4TSHRSMN1; SMN2CHRNA7
SCHEMBL10910605 0.74 TRPV1 (0.67) TRPV1TMPRSS4TSHRSMN1; SMN2CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US disclosed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 EP disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 US disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 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 (4 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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TRPV1 679/4885TMPRSS4 1813/4885TSHR 3741/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TRPV1 702/4885TMPRSS4 1647/4885TSHR 3827/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TRPV1 702/4885TMPRSS4 1647/4885TSHR 3827/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB TRPV1 1398/4885TMPRSS4 3292/4885TSHR 4035/4885

“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.