SCHEMBL9973165

SCHEMBL9973165

CC(NCCNCC(c1ccccc1)c1ccccc1)C(O)c1ccc(O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.46
▸ TDP1 Q9NUW8 10/20 0.46
▸ KDM4E B2RXH2 9/20 0.46
▸ ADRB2 P07550 8/20 0.46
▸ ADRB1 P08588 5/20 0.46
▸ TSHR P16473 5/20 0.46
▸ HSD17B10 Q99714 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ MTOR P42345 4/20 0.46
▸ LMNA P02545 4/20 0.46
▸ MAPK1 P28482 4/20 0.46
▸ DRD2 P14416 4/20 0.46
▸ DRD3 P35462 4/20 0.46
▸ HIF1A Q16665 4/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ ADRB3 P13945 3/20 0.46
▸ DRD4 P21917 3/20 0.46
▸ NFKB1 P19838 3/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ CYP3A4 P08684 3/20 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
SCHEMBL9973172 0.90 LMNA (0.39) ADRB2ADRB1TSHRHSD17B10LMNA
SCHEMBL9974874 0.87 SLC22A3 (0.51) ADRB2ADRB1TSHRKMT2ADRD2
SCHEMBL11807913 0.80 ADRB1 (0.61) ADRB2ADRB1TSHRLMNAMAPK1
SCHEMBL1780843 0.79 TDP1 (0.49) MAPTTDP1KDM4EADRB2ADRB1
SCHEMBL19361289 0.78 ADRB2 (0.55) MAPTTDP1KDM4EADRB2ADRB1
SCHEMBL10305082 0.76 TDP1 (0.51) MAPTTDP1KDM4EADRB2ADRB1
SCHEMBL13158643 0.76 TDP1 (0.51) MAPTTDP1KDM4EADRB2ADRB1
Dioxethedrin SCHEMBL249560 0.74 ADRB2 (0.58) MAPTTDP1KDM4EADRB2ADRB1
Dioxethedrin SCHEMBL365011 0.73 KDM4E (0.57) MAPTTDP1KDM4EADRB2ADRB1
Epinephrine SCHEMBL3904566 0.70 KDM4E (0.68) MAPTTDP1KDM4EADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268894-B2 Compositions and methods for the treatment of infectious diseases THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-09-18 — — US disclosed
US-8268894-B2 Compositions and methods for the treatment of infectious diseases THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-09-18 — — US disclosed
US-8202910-B2 Compositions and methods for treatment of infectious disease SEQUELLA, INC. (US) 2012-06-19 — — US disclosed
US-8202910-B2 Compositions and methods for treatment of infectious disease SEQUELLA, INC. (US) 2012-06-19 — — US disclosed
US-20110118307-A1 Compositions and methods for the treatment of infectious diseases GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2011-05-19 — — US disclosed
US-20110118307-A1 Compositions and methods for the treatment of infectious diseases GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2011-05-19 — — US disclosed
US-7842729-B2 Anti tubercular drug: compositions and methods THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-30 — — US disclosed
US-7842729-B2 Anti tubercular drug: compositions and methods THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-30 — — US disclosed
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS SEQUELLA, INC. 2009-07-30 — — US disclosed
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS SEQUELLA, INC. 2009-07-30 — — US disclosed
US-7456222-B2 Anti tubercular drug: compositions and methods SEQUELLA, INC. (US) 2008-11-25 — — US disclosed
US-7456222-B2 Anti tubercular drug: compositions and methods SEQUELLA, INC. (US) 2008-11-25 — — US disclosed
WO-2007005896-A2 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS SEQUELLA, INC. (US) 2007-01-11 — — WO 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-20110118307-A1 Compositions and methods for the treatment of infectious diseases TERT, C5, ELANE MAPT 817/4885TDP1 2008/4885KDM4E 2144/4885
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS RIF1, TERT, ELL MAPT 536/4885TDP1 1917/4885KDM4E 716/4885

“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.

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