SCHEMBL2113417

SCHEMBL2113417

CC(C)CN(/C=N/c1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ALB P02768 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ NR2F2 P24468 1/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ADA P00813 1/20 0.37
▸ ABL1 P00519 2/20 0.37
▸ RIN1 Q13671 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ BCHE P06276 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
SCHEMBL2113420 1.00 ALDH1A1 (0.48) ALDH1A1LMNAALBMAPK1NR2F2
SCHEMBL887896 0.88 ALDH1A1 (0.51) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL9601775 0.79 ALDH1A1 (0.60) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL3683208 0.76 ALDH1A1 (0.60) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL12149460 0.76 ALDH1A1 (0.60) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL23254277 0.76 ALDH1A1 (0.60) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL18410860 0.75 MAPK1 (0.60) ALDH1A1LMNAALBMAPK1NR2F2
Didanosine SCHEMBL29387997 0.74 ALDH1A1 (0.61) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL1769151 0.74 ALDH1A1 (0.61) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL12150307 0.74 ALDH1A1 (0.61) ALDH1A1LMNAALBMAPK1CYP1A2

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-8158770-B2 Content dependent inhibitors of cytidine deaminases and uses thereof UNIVERSITY OF ROCHESTER (US) 2012-04-17 — — US disclosed
US-20090099105-A1 Content dependent inhibitors of cytidine deaminases and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-16 — — 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-20090099105-A1 Content dependent inhibitors of cytidine deaminases and uses thereof DCTD, CDA, ADA ALDH1A1 1171/4885LMNA 2870/4885ALB 4317/4885

“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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