SCHEMBL13952168

SCHEMBL13952168

COc1ccc(C(OC[C@@H](OCn2cnc3c(=O)[nH]c(NC(=O)CCNC(=O)c4ccc(CNC(=O)OCC5c6ccccc6-c6ccccc65)cc4)nc32)C(C)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 1/20 0.33
▸ TYMP P19971 1/20 0.33
▸ CDK5 Q00535 3/20 0.32
▸ CDK5R1 Q15078 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PDE9A O76083 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HDAC3 O15379 1/20 0.30
▸ HDAC4 P56524 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC7 Q8WUI4 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC10 Q969S8 1/20 0.30
▸ HDAC11 Q96DB2 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
SCHEMBL13951963 0.94 TYMP (0.36) HINT1TYMPPDE9AMEN1TSHR
SCHEMBL13375821 0.92 CDK5 (0.35) HINT1TYMPCDK5CDK5R1NPC1
SCHEMBL12674166 0.90 TYMP (0.36) HINT1TYMPPDE9AMEN1TSHR
SCHEMBL13952172 0.88 — —
SCHEMBL13952086 0.85 TYMP (0.35) TYMPPDE9AMEN1TSHRKMT2A
SCHEMBL13897557 0.84 HDAC1 (0.38) CDK5CDK5R1HDAC1HDAC6
SCHEMBL16417873 0.83 TYMP (0.45) HINT1TYMP
SCHEMBL13930557 0.83 TYMP (0.45) HINT1TYMP
SCHEMBL13375788 0.83 TYMP (0.37) HINT1TYMPNPC1LMNAMAPT
SCHEMBL13951965 0.82 TYMP (0.35) TYMPPDE9AMEN1TSHRKMT2A

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-20090053710-A1 FUNCTIONAL MOLECULE, FUNCTIONAL MOLECULE SYNTHESIZING AMIDITE AND TARGET SUBSTANCE ANALYSIS METHOD FUJITSU LIMITED (JP) 2009-02-26 — — 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-20090053710-A1 FUNCTIONAL MOLECULE, FUNCTIONAL MOLECULE SYNTHESIZING AMIDITE AND TARGET SUBSTANCE ANALYSIS METHOD TACR1, TACR2, ATIC HINT1 1018/4885TYMP 2415/4885CDK5 2371/4885

“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.

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