SCHEMBL4347113

SCHEMBL4347113

CCCCCCNNCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.55
▸ MAOA P21397 1/20 0.53
▸ CHRM2 P08172 1/20 0.52
▸ EPHX2 P34913 1/20 0.51
▸ HDAC3 O15379 5/20 0.51
▸ HDAC8 Q9BY41 2/20 0.51
▸ HDAC1 Q13547 2/20 0.51
▸ HDAC2 Q92769 2/20 0.51
▸ HDAC11 Q96DB2 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HRH4 Q9H3N8 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL9766680 1.00 SIGMAR1 (0.55) SIGMAR1MAOACHRM2EPHX2HDAC3
Hydrochloric Acid SCHEMBL28119181 0.98 SIGMAR1 (0.53) SIGMAR1MAOACHRM2EPHX2HDAC3
SCHEMBL2936967 0.98 SIGMAR1 (0.56) SIGMAR1MAOACHRM2EPHX2HDAC3
SCHEMBL11129280 0.92 HDAC3 (0.51) SIGMAR1MAOACHRM2EPHX2HDAC3
SCHEMBL30454697 0.89 SIGMAR1 (0.51) SIGMAR1MAOACHRM2EPHX2HDAC3
SCHEMBL2893366 0.84 MEN1 (0.50) SIGMAR1MAOACHRM2HDAC3HDAC8
SCHEMBL2889761 0.82 MAOA (0.80) SIGMAR1MAOACHRM2HRH4HRH3
SCHEMBL5950191 0.82 MAOA (0.80) SIGMAR1MAOACHRM2HRH4HRH3
SCHEMBL253468 0.82 MAOA (0.80) SIGMAR1MAOACHRM2HRH4HRH3
SCHEMBL2748121 0.82 MAOA (0.80) SIGMAR1MAOACHRM2HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202910-B2 Compositions and methods for treatment of infectious disease SEQUELLA, INC. (US) 2012-06-19 — — US disclosed
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS SEQUELLA, INC. 2009-07-30 — — 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 (1 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-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS RIF1, TERT, ELL SIGMAR1 3044/4885MAOA 1983/4885CHRM2 1715/4885

“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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