SCHEMBL733882

SCHEMBL733882

NC(=O)CCCC(=O)N(C=S)c1ccccc1.[Pd]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 1/20 0.35
ALOX5 P09917 5/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
TBXAS1 P24557 1/20 0.33
LTA4H P09960 1/20 0.33
ADRA2C P18825 1/20 0.33
HDAC3 O15379 1/20 0.33
MAPK1 P28482 1/20 0.33
ADRA1A P35348 1/20 0.33
HDAC4 P56524 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4138868 0.73 NPSR1 (0.55) ALDH1A1NPC1POLBHTTRAB9A
SCHEMBL4732141 0.72 NPSR1 (0.44) ALDH1A1NPC1POLBHTTRAB9A
SCHEMBL10596450 0.71 NPSR1 (0.53) ALDH1A1NPC1POLBHTTRAB9A
SCHEMBL1769746 0.71 NPSR1 (0.53) ALDH1A1NPC1POLBHTTRAB9A
SCHEMBL8521295 0.71 CRHBP (0.42) ALDH1A1NPC1POLBHTTRAB9A
SCHEMBL155509 0.70 ALOX5 (0.44) ALDH1A1NPC1POLBHTTRAB9A
SCHEMBL12475197 0.70 ALDH1A1 (0.61) ALDH1A1KMT2ANPSR1TP53SMN1; SMN2
SCHEMBL3244381 0.69 KMT2A (0.46) ALDH1A1NPC1POLBHTTKMT2A
SCHEMBL6871207 0.68 ALDH1A1 (0.50) ALDH1A1POLBKMT2ATP53SMN1; SMN2
SCHEMBL28575888 0.67 NPSR1 (0.57) ALDH1A1NPC1POLBHTTRAB9A

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3808743-B1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2022-07-20 EP disclosed
EP-3808743-A1 HIV REPLICATION INHIBITING PYRIMIDINES Janssen Pharmaceutica NV (BE) 2021-04-21 EP disclosed
US-10611732-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2020-04-07 US disclosed
EP-2298761-B1 HIV INHIBITING PYRIMIDINES DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2020-03-25 EP disclosed
US-20190322628-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2019-10-24 US disclosed
US-10370340-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2019-08-06 US disclosed
US-20180244632-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2018-08-30 US disclosed
US-9981919-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICAL N.V. (BE) 2018-05-29 US disclosed
US-20170320835-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2017-11-09 US disclosed
US-20170121292-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2017-05-04 US disclosed
EP-1567134-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING A BASIC RESPECTIVELY ACIDIC DRUG COMPOUND, A SURFACTANT AND A PHYSIOLOGICALLY TOLERABLE WATER-SOLUBLE ACID RESPECTIVELY BASE JANSSEN PHARMACEUTICA N.V. (BE) 2005-08-31 EP disclosed
EP-1529032-A1 PROCESSES FOR THE PREPARATION OF 4- 4- 4-(2 -CYANOETHENYL)-2,6-DIMETHYLPHENYL )AMINO) -2-PYRIMIDINYL)AMINO BENZONITRILE JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-11 EP disclosed
US-20040198739-A1 Prevention reproduction of virus JANSSEN PHARMACEUTICA N.V. (BE) 2004-10-07 US disclosed
WO-2004074261-A1 HIV REPLICATION INHIBITING PYRIMIDINES AND TRIAZINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2004-09-02 WO disclosed
WO-2004074262-A1 HIV REPLICATION INHIBITING PYRIMIDINES AND TRIAZINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2004-09-02 WO disclosed
WO-2004050068-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A BASIC RESPECTIVELY ACIDIC DRUG COMPOUND, A SURFACTANT AND A PHYSIOLOGICALLY TOLERABLE WATER-SOLUBLE ACID RESPECTIVELY BASE JANSSEN PHARMACEUTICA N.V. (BE) 2004-06-17 WO disclosed
WO-2004050058-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING A BASIC RESPECTIVELY ACIDIC DRUG COMPOUND, A SURFACTANT AND A PHYSIOLOGICALLY TOLERABLE WATER-SOLUBLE ACID RESPECTIVELY BASE JANSSEN PHARMACEUTICA N.V. (BE) 2004-06-17 WO disclosed
EP-1419152-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2004-05-19 EP disclosed
WO-2004016581-A1 PROCESSES FOR THE PREPARATION OF 4-[[4-[[4-(2-CYANOETHENYL)-2,6-DIMETHYLPHENYL]AMINO]-2-PYRIMIDINYL]AMINO]BENZONITRILE JANSSEN PHARMACEUTICA N.V. (BE) 2004-02-26 WO disclosed
WO-2003016306-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-02-27 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 (7 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-20170121292-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 ALDH1A1 3445/4885NPC1 636/4885POLB 50/4885
US-20190322628-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 ALDH1A1 3445/4885NPC1 636/4885POLB 50/4885
US-10611732-B2 HIV replication inhibiting pyrimidines RRM2B, CCNO, RRM2 ALDH1A1 3445/4885NPC1 636/4885POLB 50/4885
US-20180244632-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 ALDH1A1 3445/4885NPC1 636/4885POLB 50/4885
US-20040198739-A1 Prevention reproduction of virus ZC3HAV1, HAVCR2, CBR1 ALDH1A1 2007/4885NPC1 121/4885POLB 215/4885
US-10370340-B2 HIV replication inhibiting pyrimidines RRM2B, CCNO, RRM2 ALDH1A1 3445/4885NPC1 636/4885POLB 50/4885
US-20170320835-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 ALDH1A1 3445/4885NPC1 636/4885POLB 50/4885

“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.