SCHEMBL12888540

SCHEMBL12888540

C#CCOc1ccc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.96
▸ TOP2A P11388 3/20 0.96
▸ ALDH1A1 P00352 5/20 0.74
▸ SMN1; SMN2 Q16637 4/20 0.74
▸ MAPT P10636 3/20 0.74
▸ MEN1 O00255 2/20 0.74
▸ BLM P54132 2/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ SLCO2B1 O94956 1/20 0.74
▸ GLA P06280 1/20 0.74
▸ RECQL P46063 1/20 0.74
▸ BCL2L1 Q07817 1/20 0.74
▸ SLCO1B3 Q9NPD5 1/20 0.74
▸ TDP1 Q9NUW8 1/20 0.74
▸ SLCO1B1 Q9Y6L6 1/20 0.74
▸ HPGD P15428 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ KDM4E B2RXH2 3/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ POLB P06746 1/20 0.59

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
SCHEMBL12888580 0.98 TOP1 (1.00) TOP1TOP2AALDH1A1SMN1; SMN2MAPT
SCHEMBL16586786 0.89 TOP1 (0.83) TOP1TOP2AALDH1A1SMN1; SMN2MAPT
SCHEMBL12888575 0.88 TOP1 (0.75) TOP1TOP2AALDH1A1SMN1; SMN2MAPT
SCHEMBL16586611 0.87 TOP1 (0.80) TOP1TOP2AALDH1A1SMN1; SMN2MAPT
SCHEMBL17968532 0.86 TOP1 (0.78) TOP1TOP2AALDH1A1SMN1; SMN2MAPT
SCHEMBL38686 0.85 ALDH1A1 (1.00) TOP1TOP2AALDH1A1SMN1; SMN2MAPT
SCHEMBL29350649 0.85 ALDH1A1 (1.00) TOP1TOP2AALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL29387917 0.84 ALDH1A1 (0.98) TOP1TOP2AALDH1A1SMN1; SMN2MAPT
SCHEMBL4050825 0.84 ALDH1A1 (0.76) TOP1TOP2AALDH1A1SMN1; SMN2MAPT
SCHEMBL19975798 0.84 TOP1 (0.76) TOP1TOP2AALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9492554-B2 Methods and compositions related to viral inhibition CLEMSON UNIVERSITY (US) 2016-11-15 — — US disclosed
US-9492554-B2 Methods and compositions related to viral inhibition CLEMSON UNIVERSITY (US) 2016-11-15 — — US disclosed
US-20160263231-A1 Methods and Compositions Related to Viral Inhibition CLEMSON UNIVERSITY 2016-09-15 — — US disclosed
US-20160263231-A1 Methods and Compositions Related to Viral Inhibition CLEMSON UNIVERSITY 2016-09-15 — — US disclosed
US-9072761-B2 Methods and compositions related to viral inhibition CLEMSON UNIVERSITY RESEARCH FOUNDATION (CURF) (US) 2015-07-07 — — US disclosed
US-9072761-B2 Methods and compositions related to viral inhibition CLEMSON UNIVERSITY RESEARCH FOUNDATION (CURF) (US) 2015-07-07 — — US disclosed
US-20110046982-A1 METHODS AND COMPOSITIONS RELATED TO VIRAL INHIBITION CLEMSON UNIVERSITY RESEARCH FOUNDATION (CURF) (US) 2011-02-24 — — US disclosed
US-20110046982-A1 METHODS AND COMPOSITIONS RELATED TO VIRAL INHIBITION CLEMSON UNIVERSITY RESEARCH FOUNDATION (CURF) (US) 2011-02-24 — — 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-20160263231-A1 Methods and Compositions Related to Viral Inhibition EIF2AK2, NSUN2, NSUN3 TOP1 612/4885TOP2A 716/4885ALDH1A1 4399/4885
US-20110046982-A1 METHODS AND COMPOSITIONS RELATED TO VIRAL INHIBITION EIF2AK2, NSUN2, NSUN3 TOP1 612/4885TOP2A 716/4885ALDH1A1 4399/4885

“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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