SCHEMBL17586128

SCHEMBL17586128

CCCCCc1cn(Cc2cc(CNC(=N)N)cc(C(=O)ON3C(=O)CCC3=O)c2)nn1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.40
CYP19A1 P11511 6/20 0.40
CNR1 P21554 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
SPHK2 Q9NRA0 1/20 0.35

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
SCHEMBL16213058 0.92 HDAC1 (0.38) HDAC1
SCHEMBL27182150 0.83 GLS (0.30)
SCHEMBL16213104 0.75 HDAC1 (0.43) HDAC1
SCHEMBL17586136 0.74 SLC7A5 (0.38)
SCHEMBL9715241 0.69 F2 (0.38)
Hydrochloric Acid SCHEMBL9715397 0.68 F10 (0.42)
SCHEMBL16330540 0.64 MIF (0.43) HDAC1
SCHEMBL12137652 0.64 P2RX7 (0.38)
SCHEMBL3680728 0.63 THRA (0.50)
SCHEMBL24276658 0.62 EPHX2 (0.46) HDAC1

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 HDAC1 734/4885CYP19A1 4312/4885CNR1 3578/4885

“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.