SCHEMBL4943629

SCHEMBL4943629

CCOC(=O)c1c(N)cccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
ALDH1A1 P00352 6/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GAA P10253 3/20 0.50
HPGD P15428 3/20 0.50
TSHR P16473 1/20 0.50
CYP1A2 P05177 2/20 0.49
LMNA P02545 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL10455857 0.88 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL282595 0.83 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL1129317 0.83 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL2405060 0.81 CA12 (0.59) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL10919807 0.81 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL7560964 0.81 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL30822598 0.81 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL6905553 0.81 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL16041589 0.81 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL2894636 0.80 ALDH1A1 (0.72) CA12CA1CA2CA7CA9

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-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 US disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 US disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 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-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents ABCC3, HCCS, ABCC2 CA12 2305/4885CA1 3332/4885CA2 2460/4885

“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.