SCHEMBL17586136

SCHEMBL17586136

Cc1cc(CNC(=N)N)cc(C(=O)ON2C(=O)CCC2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.38
F10 P00742 8/20 0.37
F2 P00734 6/20 0.37
TP53 P04637 2/20 0.33
WDR5 P61964 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
SLC1A2 P43004 1/20 0.30

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
SCHEMBL9715241 0.82 F2 (0.38) F2SLC1A2
Hydrochloric Acid SCHEMBL9715397 0.81 F10 (0.42) F10F2
SCHEMBL12137652 0.78 P2RX7 (0.38) F10
SCHEMBL17586128 0.74 HDAC1 (0.40)
SCHEMBL27182150 0.74 GLS (0.30)
SCHEMBL20382338 0.74
SCHEMBL13198116 0.74 KLK1 (0.32) F2
SCHEMBL16213058 0.72 HDAC1 (0.38)
SCHEMBL26729992 0.71 LMNA (0.37) TP53KMT2AGAACA12CA1
SCHEMBL13404895 0.70 MGLL (0.37) KMT2ACA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160074541-A1 Prosthetic Compounds for Labeling Internalizing Biomolecules NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-17 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-20160074541-A1 Prosthetic Compounds for Labeling Internalizing Biomolecules CD47, CD2, CD22 SLC7A5 523/4885F10 2466/4885F2 3597/4885

“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.