SCHEMBL330342

SCHEMBL330342

O=C(Nc1cccc2ccccc12)c1cc(Cl)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.65
KCNMA1 Q12791 3/20 0.64
TMPRSS4 Q9NRS4 3/20 0.61
P2RX1 P51575 3/20 0.59
P2RX4 Q99571 2/20 0.59
P2RX7 Q99572 2/20 0.59
RAB9A P51151 4/20 0.59
GRIK1 P39086 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CHRNB2 P17787 1/20 0.57
CHRNB4 P30926 1/20 0.57
CHRNA3 P32297 1/20 0.57
CHRNA4 P43681 1/20 0.57
NPC1 O15118 3/20 0.56
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
NPY1R P25929 1/20 0.55

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
SCHEMBL2167468 0.86 KDR (0.57) KDRKCNMA1TMPRSS4P2RX1P2RX4
SCHEMBL21828993 0.84 GRIK1 (0.64) RAB9AGRIK1MEN1KMT2ACHRNB2
SCHEMBL17774884 0.83 NPC1 (0.63) RAB9AMEN1KMT2ACHRNB2CHRNB4
SCHEMBL2743115 0.82 NPC1 (0.61) RAB9AMEN1KMT2ACHRNB2CHRNB4
SCHEMBL31722789 0.82 NPC1 (0.61) RAB9AMEN1KMT2ACHRNB2CHRNB4
SCHEMBL29575361 0.82 NPC1 (0.61) RAB9AMEN1KMT2ACHRNB2CHRNB4
SCHEMBL31093979 0.82 KCNMA1 (0.71) KDRKCNMA1TMPRSS4P2RX1P2RX4
SCHEMBL16147455 0.82 KCNMA1 (0.71) KDRKCNMA1TMPRSS4P2RX1P2RX4
SCHEMBL24004566 0.82 GRIK1 (0.61) RAB9AGRIK1MEN1KMT2ACHRNB2
SCHEMBL21828990 0.82 RAB9A (0.72) KCNMA1RAB9AGRIK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170057910-A1 ANTITUMOR NAPHTHALENYL BENZAMIDE DERIVATIVES THE CLEVELAND CLINIC FOUNDATION 2017-03-02 US disclosed
US-20170057910-A1 ANTITUMOR NAPHTHALENYL BENZAMIDE DERIVATIVES THE CLEVELAND CLINIC FOUNDATION 2017-03-02 US disclosed
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-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 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 (6 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-20170057910-A1 ANTITUMOR NAPHTHALENYL BENZAMIDE DERIVATIVES BCL3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1 KDR 2433/4885KCNMA1 1716/4885TMPRSS4 3015/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A KDR 3220/4885KCNMA1 3082/4885TMPRSS4 1813/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A KDR 3373/4885KCNMA1 3380/4885TMPRSS4 1647/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A KDR 3373/4885KCNMA1 3380/4885TMPRSS4 1647/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A KDR 3373/4885KCNMA1 3380/4885TMPRSS4 1647/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB KDR 3150/4885KCNMA1 2705/4885TMPRSS4 3292/4885

“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.