SCHEMBL9973111

SCHEMBL9973111

Cc1ccc(CNCCNCc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.74
▸ KMT2A Q03164 4/20 0.74
▸ TDP1 Q9NUW8 1/20 0.74
▸ CHRM2 P08172 2/20 0.64
▸ MAOA P21397 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ GAA P10253 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ SIGMAR1 Q99720 3/20 0.53
▸ NPC1 O15118 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SCN8A Q9UQD0 1/20 0.50
▸ DRD4 P21917 1/20 0.50

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
Toluene SCHEMBL16880241 0.93 MEN1 (0.77) MEN1KMT2ATDP1CHRM2MAOA
SCHEMBL7625869 0.91 HTT (0.63) MEN1KMT2ATDP1CHRM2MAOA
SCHEMBL4919923 0.91 CHRM2 (0.75) MEN1KMT2ATDP1CHRM2HTT
SCHEMBL19245652 0.90 GAA (0.74) MEN1KMT2ATDP1CHRM2MAOA
SCHEMBL4913672 0.89 CHRM2 (0.79) MEN1KMT2ATDP1CHRM2NPC1
SCHEMBL5032223 0.89 CHRM2 (0.79) MEN1KMT2ATDP1CHRM2NPC1
SCHEMBL4917450 0.89 CHRM2 (0.79) MEN1KMT2ATDP1CHRM2NPC1
SCHEMBL1779091 0.87 HTT (0.70) MEN1KMT2ATDP1CHRM2MAOA
SCHEMBL9523764 0.87 SIGMAR1 (0.70) MEN1KMT2ATDP1CHRM2MAOA
SCHEMBL5764 0.86 MEN1 (1.00) MEN1KMT2ATDP1CHRM2MAOA

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
EP-1513825-B1 ANTI TUBERCULAR DRUG: COMPOSITIONS AND METHODS Dept of Health and Human Services (US) 2016-10-05 — — EP 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-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

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 MEN1 704/4885KMT2A 2413/4885TDP1 2008/4885
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS RIF1, TERT, ELL MEN1 2464/4885KMT2A 2570/4885TDP1 1917/4885

“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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