SCHEMBL2614944

SCHEMBL2614944

COc1nc(O)ncc1C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.35
NUDT1 P36639 2/20 0.34
POLB P06746 1/20 0.33
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.31
NNMT P40261 1/20 0.31
AGXT P21549 1/20 0.31
GAA P10253 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
SCHEMBL3166513 0.78 KMT2A (0.50) RECQLNUDT1KMT2A
SCHEMBL9918974 0.77 LMNA (0.38) RECQLNUDT1POLBHTTKMT2A
SCHEMBL8888 0.76 QPCT (0.40) RECQLNUDT1HTTKMT2AGAA
SCHEMBL1996295 0.74 ALDH1A1 (0.44) RECQLNUDT1POLBHTTKMT2A
SCHEMBL31631823 0.74 NUDT1 (0.59) NUDT1KMT2A
SCHEMBL24225498 0.74 NUDT1 (0.34) RECQLNUDT1POLBHTTKMT2A
SCHEMBL4055116 0.74 NUDT1 (0.34) RECQLNUDT1POLBHTTKMT2A
SCHEMBL4055122 0.74 NUDT1 (0.59) NUDT1KMT2A
SCHEMBL19145049 0.74 RECQL (0.43) RECQLNUDT1POLBKMT2AGAA
SCHEMBL18791323 0.72 ELANE (0.37) NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 US disclosed
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US disclosed
US-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND NAKAMURA YOSHINORI 2011-04-21 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 (2 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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB RECQL 2479/4885NUDT1 2234/4885POLB 3818/4885
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 RECQL 1796/4885NUDT1 3111/4885POLB 2824/4885

“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.