SCHEMBL505728

SCHEMBL505728

O=C(O)c1ccc(-c2nc3ccccc3s2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
LMNA P02545 2/20 0.69
NFKB1 P19838 2/20 0.69
NFKB2 Q00653 2/20 0.69
RELA Q04206 2/20 0.69
RAB9A P51151 7/20 0.68
NPC1 O15118 6/20 0.68
MAPT P10636 4/20 0.68
GAA P10253 3/20 0.68
ALDH1A1 P00352 2/20 0.68
GLA P06280 2/20 0.68
MMP9 P14780 3/20 0.68
MMP8 P22894 3/20 0.68
MMP2 P08253 2/20 0.68
MMP13 P45452 2/20 0.68
APP P05067 3/20 0.63
MGAM O43451 1/20 0.62
PAX8 Q06710 2/20 0.60
CYP1A2 P05177 1/20 0.60

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
SCHEMBL9725326 0.90 MMP9 (0.68) KDM4ESMN1; SMN2LMNANFKB1NFKB2
SCHEMBL2702813 0.87 RAB9A (0.64) KDM4ESMN1; SMN2LMNANFKB1NFKB2
SCHEMBL11339575 0.87 KDM4E (0.64) KDM4ESMN1; SMN2LMNANFKB1NFKB2
SCHEMBL23169620 0.87 RAB9A (0.64) KDM4ESMN1; SMN2LMNANFKB1NFKB2
SCHEMBL366824 0.86 RAB9A (0.81) KDM4ESMN1; SMN2LMNANFKB1NFKB2
SCHEMBL29474819 0.86 RAB9A (0.81) KDM4ESMN1; SMN2LMNANFKB1NFKB2
SCHEMBL15774808 0.85 KDM4E (0.63) KDM4ESMN1; SMN2LMNANFKB1NFKB2
SCHEMBL31472989 0.84 MMP2 (0.69) KDM4ESMN1; SMN2LMNARAB9ANPC1
SCHEMBL28608538 0.84 MMP2 (0.69) KDM4ESMN1; SMN2LMNARAB9ANPC1
SCHEMBL754574 0.84 RAB9A (0.73) KDM4ESMN1; SMN2LMNANFKB1NFKB2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621752-A Room-temperature phosphorescent waterborne polymer anti-counterfeiting material and preparation method and application thereof 昆明理工大学 2022-06-14 CN claimed
US-20010024833-A1 Methods for the solid phase synthesis of combinatorial libraries of benzimidazol, benzoxazoles, benzothiazoles, and derivatives thereof LABORDE EDGARDO (US) 2001-09-27 US claimed
US-6251689-B1 BINDING TO RESIN; OXIDATION TELIK, INC. 2001-06-26 US claimed
CN-114621752-B Room-temperature phosphorescent waterborne polymer anti-counterfeiting material and preparation method and application thereof 昆明理工大学 2022-10-28 CN disclosed
CN-114621752-A Room-temperature phosphorescent waterborne polymer anti-counterfeiting material and preparation method and application thereof 昆明理工大学 2022-06-14 CN disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
EP-1784400-B1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2015-01-14 EP disclosed
CN-104030987-A DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA 2014-09-10 CN disclosed
CN-102574786-A Dihydroorotate dehydrogenase inhibitors MERCK SERONO SA 2012-07-11 CN disclosed
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-7495106-B1 O-aminophenol-containing AB-monomer for heterocyclic rigid-rod polymers UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2009-02-24 US disclosed
US-20090048225-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2009-02-19 US disclosed
EP-1784400-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-05-16 EP disclosed
WO-2006023462-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-03-02 WO disclosed
US-20010024833-A1 Methods for the solid phase synthesis of combinatorial libraries of benzimidazol, benzoxazoles, benzothiazoles, and derivatives thereof LABORDE EDGARDO (US) 2001-09-27 US disclosed
US-6251689-B1 BINDING TO RESIN; OXIDATION TELIK, INC. 2001-06-26 US disclosed
US-4065427-A Polychromophoric heterocyclic ultraviolet stabilizers and their use in organic compositions EASTMAN KODAK COMPANY (US) 1977-12-27 US disclosed
US-4000148-A POLYMERS EASTMAN KODAK COMPANY (US) 1976-12-28 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 (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-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 PTGER1, CYP3A5, SULT1E1 KDM4E 1469/4885SMN1; SMN2 2588/4885LMNA 1939/4885
US-20090048225-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 KDM4E 487/4885SMN1; SMN2 1995/4885LMNA 4237/4885
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD KDM4E 806/4885SMN1; SMN2 3315/4885LMNA 4317/4885
US-20010024833-A1 Methods for the solid phase synthesis of combinatorial libraries of benzimidazol, benzoxazoles, benzothiazoles, and derivatives thereof EIF2AK2, CDK15, CDK17 KDM4E 2008/4885SMN1; SMN2 4393/4885LMNA 1312/4885

“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.