SCHEMBL16221899

SCHEMBL16221899

CC(NCc1cncnc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 3/20 0.41
▸ NR4A2 P43354 1/20 0.40
▸ CD274 Q9NZQ7 3/20 0.39
▸ ITGB1 P05556 1/20 0.39
▸ ITGA5 P08648 1/20 0.39
▸ MEP1B Q16820 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ PDCD1 Q15116 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ TBXAS1 P24557 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
SCHEMBL513250 0.80 L3MBTL1 (0.56) CYP2C9TBXAS1
SCHEMBL8437521 0.80 L3MBTL1 (0.56) CYP2C9TBXAS1
SCHEMBL513249 0.80 L3MBTL1 (0.56) CYP2C9TBXAS1
Hydrochloric Acid SCHEMBL8439653 0.79 TBXAS1 (0.55) CYP2C9TBXAS1
Hydrochloric Acid SCHEMBL8439652 0.79 TBXAS1 (0.55) CYP2C9TBXAS1
SCHEMBL28106835 0.79 ALDH1A1 (0.51) NR4A2ITGB1ITGA5
SCHEMBL14843314 0.79 ALDH1A1 (0.51) NR4A2ITGB1ITGA5
Bromide SCHEMBL16208931 0.77 ALDH1A1 (0.50) NR4A2ITGB1ITGA5
Hydrochloric Acid SCHEMBL16209092 0.77 ALDH1A1 (0.50) NR4A2ITGB1ITGA5
SCHEMBL6641420 0.77 KCNH2 (0.40) VNN1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290518-B2 Water soluble metal-organic frameworks (MOFs) COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-03-22 — — US disclosed
US-20140330020-A1 WATER SOLUBLE METAL-ORGANIC FRAMEWORKS (MOFS) COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-11-06 — — 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-20140330020-A1 WATER SOLUBLE METAL-ORGANIC FRAMEWORKS (MOFS) SLC7A1, STOM, SLC6A15 VNN1 1631/4885NR4A2 4620/4885CD274 610/4885

“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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