SCHEMBL3223380

SCHEMBL3223380

N#Cc1ccc(-c2cc(C(=O)O)ccc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.56
MAP4K4 O95819 1/20 0.52
TSHR P16473 1/20 0.49
XDH P47989 1/20 0.47
EIF4E P06730 1/20 0.46
AURKA O14965 1/20 0.45
TPX2 Q9ULW0 1/20 0.45
RPA1 P27694 1/20 0.45
SRD5A2 P31213 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
AR P10275 1/20 0.43
KDM1A O60341 2/20 0.43
EGLN2 Q96KS0 1/20 0.42
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL29787983 0.91 SLC22A12 (0.53) SLC22A12MAP4K4TSHRXDHEIF4E
SCHEMBL2043095 0.91 SLC22A12 (0.53) SLC22A12MAP4K4TSHRXDHEIF4E
SCHEMBL6254017 0.85 TSHR (0.61) MAP4K4TSHRSRD5A2CA1ALDH1A1
SCHEMBL14226772 0.82 PGR (0.43) SLC22A12MAP4K4EIF4ECA1CA2
SCHEMBL14240797 0.82 RAB9A (0.49) SLC22A12MAP4K4EIF4ECA1CA2
SCHEMBL2744832 0.81 SLC22A12 (0.56) SLC22A12MAP4K4XDHCA1CA2
SCHEMBL1231896 0.81 SLC22A12 (0.56) SLC22A12MAP4K4XDHCA1CA2
SCHEMBL17672432 0.81 MAP4K4 (0.59) SLC22A12MAP4K4XDHCA1CA2
SCHEMBL2744451 0.81 SLC22A12 (0.56) SLC22A12MAP4K4XDHCA1CA2
SCHEMBL3220340 0.80 TSHR (0.55) TSHRSRD5A2CA1CA2ALDH1A1

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 disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 WO 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 SLC22A12 2147/4885MAP4K4 1982/4885TSHR 4456/4885

“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.