SCHEMBL3200142

SCHEMBL3200142

CN(C)Cc1ccccc1-c1ccc(-c2cc(C(=O)O)ccc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.51
SLC6A4 P31645 4/20 0.51
SLC6A3 Q01959 4/20 0.51
ITGB1 P05556 1/20 0.49
ITGA4 P13612 1/20 0.49
ITGB7 P26010 1/20 0.49
F10 P00742 2/20 0.47
FOLH1 Q04609 2/20 0.44
ALDH1A1 P00352 2/20 0.42
RORC P51449 3/20 0.42
GRM2 Q14416 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TTR P02766 1/20 0.40
MAP4K4 O95819 1/20 0.40
SRD5A2 P31213 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL12101183 0.86 FOLH1 (0.56) SLC6A2SLC6A4SLC6A3ITGB1ITGA4
Lithium SCHEMBL3305736 0.85 FOLH1 (0.55) SLC6A2SLC6A4SLC6A3ITGB1ITGA4
SCHEMBL3305732 0.85 FOLH1 (0.55) SLC6A2SLC6A4SLC6A3ITGB1ITGA4
SCHEMBL3220302 0.84 TSHR (0.45) SLC6A2SLC6A4SLC6A3FOLH1TSHR
SCHEMBL3215264 0.83 HRH3 (0.47) SLC6A2SLC6A4SLC6A3TSHRSRD5A2
SCHEMBL5937202 0.81 ALDH1A1 (0.56) SLC6A2SLC6A4SLC6A3FOLH1ALDH1A1
SCHEMBL3211520 0.80 AOC3 (0.55)
SCHEMBL5937377 0.80 ALDH1A1 (0.51) SLC6A2SLC6A4SLC6A3F10ALDH1A1
SCHEMBL27619926 0.79 ALDH1A1 (0.54) SLC6A2SLC6A4SLC6A3FOLH1ALDH1A1
SCHEMBL3205630 0.79 TSHR (0.55) ALDH1A1TSHRNPSR1TTRMAP4K4

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-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B SLC6A2 3690/4885SLC6A4 3633/4885SLC6A3 4117/4885

“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.