SCHEMBL2096552

SCHEMBL2096552

[CH2]NC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
KDM4E B2RXH2 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 1/20 0.49
SIGMAR1 Q99720 1/20 0.46
CCR3 P51677 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
EPHX1 P07099 1/20 0.43

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
SCHEMBL10936752 0.80 HTT (0.58) HTTL3MBTL1SMN1; SMN2ALDH1A1NCOA1
SCHEMBL1541692 0.78 TAAR1 (0.57) HTTL3MBTL1SMN1; SMN2ALDH1A1NCOA1
SCHEMBL3511543 0.78 HTT (0.56) HTTL3MBTL1SMN1; SMN2ALDH1A1NCOA1
SCHEMBL6932504 0.78 L3MBTL1 (0.57) HTTL3MBTL1SMN1; SMN2ALDH1A1NCOA1
SCHEMBL18065741 0.78 HTT (0.51) HTTL3MBTL1SMN1; SMN2ALDH1A1NCOA1
SCHEMBL13621571 0.78 TAAR1 (0.57) HTTL3MBTL1SMN1; SMN2ALDH1A1NCOA1
SCHEMBL7039441 0.78 HTT (0.51) HTTL3MBTL1SMN1; SMN2ALDH1A1NCOA1
SCHEMBL13621464 0.78 TAAR1 (0.57) HTTL3MBTL1SMN1; SMN2ALDH1A1NCOA1
SCHEMBL3204506 0.77 CYP1A2 (0.72) HTTL3MBTL1SMN1; SMN2ALDH1A1NCOA1
SCHEMBL17465576 0.77 L3MBTL1 (0.65) HTTL3MBTL1SMN1; SMN2ALDH1A1NCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US claimed
US-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 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-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 HTT 4675/4885L3MBTL1 1277/4885SMN1; SMN2 2135/4885

“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.