SCHEMBL14712887

SCHEMBL14712887

O=C1NC(=S)NC(=O)C1=Cc1cc2ccccc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 4/20 0.69
▸ SIRT2 Q8IXJ6 3/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MITF O75030 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ CCR6 P51684 1/20 0.52
▸ CYP2A6 P11509 1/20 0.51
▸ SIRT3 Q9NTG7 2/20 0.48
▸ SIRT5 Q9NXA8 2/20 0.48
▸ MAOB P27338 1/20 0.47
▸ PRF1 P14222 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL2768013 0.79 KDR (0.59) SIRT1MEN1KMT2AMAPTCYP1A2
SCHEMBL1538367 0.79 KDR (0.59) SIRT1MEN1KMT2AMAPTCYP1A2
SCHEMBL29937551 0.77 SIRT1 (0.56) SIRT1KMT2AMAPTCYP1A2MAPK1
SCHEMBL23388513 0.77 SIRT1 (0.56) SIRT1KMT2AMAPTCYP1A2MAPK1
SCHEMBL623589 0.75 PIM1 (0.59) SIRT1MEN1KMT2ARAB9A
SCHEMBL623590 0.75 PIM1 (0.59) SIRT1MEN1KMT2ARAB9A
SCHEMBL623591 0.75 PIM1 (0.59) SIRT1MEN1KMT2ARAB9A
SCHEMBL7152005 0.75 SIRT1 (0.57) SIRT1MAPTCYP1A2MAPK1NPSR1
SCHEMBL7152012 0.75 SIRT1 (0.57) SIRT1MAPTCYP1A2MAPK1NPSR1
SCHEMBL7152010 0.75 SIRT1 (0.57) SIRT1MAPTCYP1A2MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994554-B2 Barbiturate and thiobarbiturate compounds for use in cancer therapy NUHOPE LLC (US) 2018-06-12 — — US disclosed
US-9994554-B2 Barbiturate and thiobarbiturate compounds for use in cancer therapy NUHOPE LLC (US) 2018-06-12 — — US disclosed
US-20180134691-A1 BARBITURATE AND THIOBARBITURATE COMPOUNDS FOR USE IN CANCER THERAPY NUHOPE, LLC (US) 2018-05-17 — — US disclosed
US-20180134691-A1 BARBITURATE AND THIOBARBITURATE COMPOUNDS FOR USE IN CANCER THERAPY NUHOPE, LLC (US) 2018-05-17 — — US disclosed
US-9878998-B2 Barbiturate and thiobarbiturate compounds for use in cancer therapy NUHOPE LLC (US) 2018-01-30 — — US disclosed
US-9878998-B2 Barbiturate and thiobarbiturate compounds for use in cancer therapy NUHOPE LLC (US) 2018-01-30 — — US disclosed
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY CONNOR, JAMES R. 2015-03-05 — — US disclosed
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY CONNOR, JAMES R. 2015-03-05 — — US disclosed
WO-2013024447-A1 COMPOUNDS FOR USE IN CANCER THERAPY NUHOPE, LLC (US) 2013-02-21 — — WO 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-20180134691-A1 BARBITURATE AND THIOBARBITURATE COMPOUNDS FOR USE IN CANCER THERAPY MGMT, BCL2, BAX SIRT1 1331/4885SIRT2 1483/4885MEN1 2410/4885
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY MGMT, BCL2, BAK1 SIRT1 837/4885SIRT2 985/4885MEN1 1885/4885

“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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