SCHEMBL10178708

SCHEMBL10178708

C/C=N/NC(=O)c1cccs1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
ALDH1A1 P00352 4/20 0.67
RAB9A P51151 12/20 0.62
MAPT P10636 8/20 0.62
HTT P42858 2/20 0.62
KDM4E B2RXH2 2/20 0.61
GAA P10253 1/20 0.61
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
POLB P06746 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
LMNA P02545 2/20 0.57
HPGD P15428 1/20 0.57
MDM2 Q00987 1/20 0.57
HDAC1 Q13547 1/20 0.56

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
SCHEMBL1520045 0.85 RAB9A (0.68) NPC1SMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL1520043 0.85 RAB9A (0.68) NPC1SMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL12051165 0.82 NPC1 (0.61) NPC1SMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL1520769 0.80 NPC1 (0.58) NPC1SMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL1520765 0.80 NPC1 (0.58) NPC1SMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL5925730 0.79 NPC1 (0.72) NPC1SMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL5925729 0.79 NPC1 (0.72) NPC1SMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL23252451 0.79 NPC1 (0.57) NPC1SMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL12643217 0.79 POLB (0.75) NPC1SMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL21872266 0.77 NPC1 (0.56) NPC1SMN1; SMN2ALDH1A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370340-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2019-08-06 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
US-9580392-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2017-02-28 US disclosed
US-9192577-B2 Pharmaceutical compositions comprising a basic drug compound, a surfactant, and a physiologically tolerable water soluble acid JANSSEN PHARMACEUTICA NV (BE) 2015-11-24 US disclosed
US-20140343006-A1 HIV Replication Inhibiting Pyrimidines JANSSEN PHARMACEUTICA NV (NL) 2014-11-20 US disclosed
US-8828982-B2 Pyrimidine derivatives for the prevention of HIV infection JANSSEN PHARMACEUTICA N.V. (BE) 2014-09-09 US disclosed
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES GUILLEMONT JEROME EMILE GEORGES (FR) 2012-03-29 US disclosed
US-8080551-B2 HIV inhibiting pyrimidines derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-20 US disclosed
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION JANSSEN-CILAG (FR) 2010-02-11 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 (6 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-20140343006-A1 HIV Replication Inhibiting Pyrimidines RRM2B, CCNO, RRM2 NPC1 636/4885SMN1; SMN2 4101/4885ALDH1A1 3445/4885
US-20170121292-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 NPC1 636/4885SMN1; SMN2 4101/4885ALDH1A1 3445/4885
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES TYMS, PNP, DUT NPC1 865/4885SMN1; SMN2 3562/4885ALDH1A1 2133/4885
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION NOX3, CBR3, CBR1 NPC1 484/4885SMN1; SMN2 4522/4885ALDH1A1 1723/4885
US-10370340-B2 HIV replication inhibiting pyrimidines RRM2B, CCNO, RRM2 NPC1 636/4885SMN1; SMN2 4101/4885ALDH1A1 3445/4885
US-20170320835-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 NPC1 636/4885SMN1; SMN2 4101/4885ALDH1A1 3445/4885

“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.