SCHEMBL14712974

SCHEMBL14712974

O=C1NC(=S)NC(=O)C1=Cc1ccc(O)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.58
MYC P01106 1/20 0.57
MAX P61244 1/20 0.57
PLK4 O00444 1/20 0.56
SIRT2 Q8IXJ6 2/20 0.55
SIRT1 Q96EB6 2/20 0.55
SIRT5 Q9NXA8 2/20 0.55
KDM1A O60341 2/20 0.55
MAOA P21397 1/20 0.55
SIRT3 Q9NTG7 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
LCK P06239 1/20 0.53
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
ERO1A Q96HE7 1/20 0.52

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
SCHEMBL30019611 1.00 METAP1 (0.58) METAP1MYCMAXPLK4SIRT2
SCHEMBL30020313 0.86 ALDH1A1 (0.68) METAP1MYCMAXPLK4KDM1A
SCHEMBL2805861 0.86 ALDH1A1 (0.68) METAP1MYCMAXPLK4KDM1A
SCHEMBL30019664 0.86 CISD1 (0.60) METAP1PLK4SIRT2SIRT1SIRT5
SCHEMBL15421779 0.85 MEN1 (0.61) MYCMAXTDP1MEN1ALDH1A1
SCHEMBL15421567 0.85 MEN1 (0.61) MYCMAXTDP1MEN1ALDH1A1
SCHEMBL15421565 0.85 MEN1 (0.61) MYCMAXTDP1MEN1ALDH1A1
SCHEMBL30019868 0.82 BRAF (0.63) SIRT2SIRT1SIRT5KDM1ASIRT3
SCHEMBL15421932 0.82 BRAF (0.63) SIRT2SIRT1SIRT5KDM1ASIRT3
SCHEMBL15421615 0.82 ALDH1A1 (0.80) PLK4KDM1AMAOATDP1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022245120-A1 NOVEL COMPOUND AND COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR INHIBITING BIOFILM FORMATION OR VIRULENCE OF PATHOGENIC MICROORGANISM 부산대학교 산학협력단 2022-11-24 WO claimed
US-20160102065-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2016-04-14 US claimed
WO-2022245120-A1 NOVEL COMPOUND AND COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR INHIBITING BIOFILM FORMATION OR VIRULENCE OF PATHOGENIC MICROORGANISM 부산대학교 산학협력단 2022-11-24 WO 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-9896421-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use thereof PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2018-02-20 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-20160102065-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2016-04-14 US disclosed
US-9216148-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use therefor PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2015-12-22 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
US-20140023603-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2014-01-23 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 (4 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 METAP1 2044/4885MYC 397/4885MAX 4172/4885
US-20140023603-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PPARG, PPARA, PPARD METAP1 882/4885MYC 2347/4885MAX 3923/4885
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY MGMT, BCL2, BAK1 METAP1 2416/4885MYC 131/4885MAX 4562/4885
US-20160102065-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PPARG, PPARA, TYR METAP1 983/4885MYC 2589/4885MAX 4023/4885

“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.