SCHEMBL4384975

SCHEMBL4384975

C[n+]1cc(C(N)=O)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.50
ACHE P22303 2/20 0.41
PARP10 Q53GL7 6/20 0.41
CA2 P00918 3/20 0.41
PARP1 P09874 3/20 0.41
PARP4 Q9UKK3 2/20 0.41
CA1 P00915 2/20 0.41
PARP2 Q9UGN5 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP16 Q8N5Y8 1/20 0.39
PARP11 Q9NR21 1/20 0.39
NOS1 P29475 1/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38

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
Water SCHEMBL11262505 0.98 NNMT (0.48) NNMTACHEPARP10CA2PARP1
Hydrochloric Acid SCHEMBL11270858 0.98 NNMT (0.48) NNMTACHEPARP10CA2PARP1
Iodide SCHEMBL11257085 0.98 NNMT (0.48) NNMTACHEPARP10CA2PARP1
SCHEMBL12849581 0.83 TSHR (0.44) CA2CA1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4381131 0.79 NNMT (0.50) NNMTACHEPARP10CA2PARP1
SCHEMBL4387671 0.78 NNMT (0.48) NNMTACHEPARP10CA2PARP1
SCHEMBL11545665 0.75 CA2 (0.45) NNMTACHEPARP10CA2PARP1
Terephthalamide SCHEMBL221067 0.70 CYP3A4 (0.67) NNMTPARP10CA2PARP1PARP4
Iodide SCHEMBL11262176 0.69 ALDH1A1 (0.44) NNMTACHEPARP10CA2PARP1
Iodide SCHEMBL11258786 0.68 L3MBTL1 (0.45) NNMTACHEPARP10CA2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790252-B2 2-fluorinated riboses and arabinoses and methods of use and synthesis CORNELL UNIVERSITY (US) 2017-10-17 US disclosed
US-8247445-B2 Platinum complexes and methods of use UNIVERSITY OF SOUTH FLORIDA (US) 2012-08-21 US disclosed
US-20120108535-A1 2-FLUORINATED RIBOSES AND ARABINOSES AND METHODS OF USE AND SYNTHESIS CORNELL UNIVERSITY (US) 2012-05-03 US disclosed
US-20100316704-A1 PLATINUM COMPLEXES AND METHODS OF USE UNIVERSITY OF SOUTH FLORIDA (US) 2010-12-16 US disclosed
US-7759510-B2 Platinum complexes and methods of use UNIVERSITY OF SOUTH FLORIDA (US) 2010-07-20 US disclosed
US-20090285884-A1 Platinum Complexes and Methods of Use UNIVERSITY OF SOUTH FLORIDA (US) 2009-11-19 US disclosed
US-7566798-B2 Platinum complexes and methods of use UNIVERSITY OF SOUTH FLORIDA (US) 2009-07-28 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 (3 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-20100316704-A1 PLATINUM COMPLEXES AND METHODS OF USE CXCR3, POLI, ZC3HAV1 NNMT 2461/4885ACHE 2639/4885PARP10 504/4885
US-20090285884-A1 Platinum Complexes and Methods of Use CXCR3, POLI, ZC3HAV1 NNMT 2461/4885ACHE 2639/4885PARP10 504/4885
US-20120108535-A1 2-FLUORINATED RIBOSES AND ARABINOSES AND METHODS OF USE AND SYNTHESIS SLC2A2, SLC29A2, DERA NNMT 994/4885ACHE 2693/4885PARP10 537/4885

“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.