SCHEMBL792489

SCHEMBL792489

CCOCc1cc(N(C)C(C)=O)ccc1N(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 1/20 0.38
FSCN1 Q16658 1/20 0.36
SRD5A1 P18405 4/20 0.34
RAB9A P51151 2/20 0.34
RXRA P19793 2/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
PDK2 Q15119 1/20 0.33
HTT P42858 1/20 0.33
CNR2 P34972 1/20 0.32

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
SCHEMBL792450 0.85 SMN1; SMN2 (0.40) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL792335 0.85 FSCN1 (0.41) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL792351 0.80 FSCN1 (0.40) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL792311 0.76 MEN1 (0.48) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL10252934 0.73 ALDH1A1 (0.36) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL792483 0.72 PRKCI (0.39) ALDH1A1MAPTMAPK1POLBHTT
SCHEMBL879774 0.72 SMN1; SMN2 (0.41) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL792517 0.70 ALDH1A1 (0.49) ALDH1A1MAPTHTT
Ether SCHEMBL28296537 0.68 ALDH1A1 (0.60) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL13476181 0.67 SMN1; SMN2 (0.42) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 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 (3 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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI ALDH1A1 596/4885MAPT 4033/4885LMNA 4306/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI ALDH1A1 596/4885MAPT 4033/4885LMNA 4306/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885MAPT 3389/4885LMNA 4323/4885

“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.