SCHEMBL16439002

SCHEMBL16439002

CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3csc(N)n3)[C@H]2SC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.81
▸ LMNA P02545 2/20 0.81
▸ HSD17B10 Q99714 2/20 0.81
▸ L3MBTL1 Q9Y468 1/20 0.80
▸ NR1I2 O75469 5/20 0.64
▸ PGR P06401 3/20 0.64
▸ PPARG P37231 3/20 0.54
▸ SLC22A6 Q4U2R8 3/20 0.54
▸ SLC22A8 Q8TCC7 3/20 0.54
▸ SLC22A11 Q9NSA0 3/20 0.54
▸ DAO P14920 1/20 0.54
▸ SNCA P37840 1/20 0.54
▸ CYP2J2 P51589 1/20 0.54
▸ ABCC4 O15439 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ POLB P06746 8/20 0.51
▸ MAPT P10636 7/20 0.51
▸ ALDH1A1 P00352 3/20 0.51

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
SCHEMBL10919137 0.91 TDP1 (0.76) TDP1LMNAHSD17B10L3MBTL1NR1I2
SCHEMBL10916760 0.91 TDP1 (0.76) TDP1LMNAHSD17B10L3MBTL1NR1I2
SCHEMBL11011885 0.90 TDP1 (0.75) TDP1LMNAHSD17B10L3MBTL1NR1I2
Cefotiam SCHEMBL9754126 0.90 TDP1 (1.00) TDP1LMNAHSD17B10L3MBTL1NR1I2
Cefotiam SCHEMBL149538 0.90 TDP1 (1.00) TDP1LMNAHSD17B10L3MBTL1NR1I2
Cefotiam SCHEMBL16473046 0.90 TDP1 (1.00) TDP1LMNAHSD17B10L3MBTL1NR1I2
Cefotiam SCHEMBL9754124 0.90 TDP1 (1.00) TDP1LMNAHSD17B10L3MBTL1NR1I2
Cefotiam SCHEMBL11095123 0.90 TDP1 (1.00) TDP1LMNAHSD17B10L3MBTL1NR1I2
Cefotiam SCHEMBL6019446 0.90 TDP1 (1.00) TDP1LMNAHSD17B10L3MBTL1NR1I2
Cefotiam SCHEMBL10899868 0.89 L3MBTL1 (1.00) TDP1LMNAHSD17B10L3MBTL1NR1I2

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-9084735-B2 Self-assembling bis-urea compounds for drug delivery INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-07-21 — — US disclosed
US-20150037390-A1 SELF-ASSEMBLING BIS-UREA COMPOUNDS FOR DRUG DELIVERY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-02-05 — — 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-20150037390-A1 SELF-ASSEMBLING BIS-UREA COMPOUNDS FOR DRUG DELIVERY SLC14A1, NONO, PUF60 TDP1 2748/4885LMNA 1379/4885HSD17B10 4585/4885

“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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